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name Structure Reference Source Properties Activities Metabolism

(4Z,6Z,8R,9S,10Z,12S,13S,14R,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-[(prop-2-en-1-yl)amino]-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate

AlkaPlorer ID: AK017339

Synonym: None

IUPAC Name: [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

Structure

SMILES: C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(=N)O)[C@@H](OC)/C=C\C=C(/C)C(O)=NC(=CC1=O)C2=O

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InChI: InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1

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InChIKey: AYUNIORJHRXIBJ-TXHRRWQRSA-N

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Reference

PubChem CID: 6505803

CAS: 75747-14-7

NPASS: NPC483131

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 585.6980000000002

TPSA？: 170.76

MolLogP？: 3.791970000000002

Number of H-Donors: 5

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Canis lupus familiaris Heat shock protein 90 beta EC50 124.0 nM 10.1021/jm0603116
Canis lupus familiaris Heat shock protein 90 beta IC50 31.0 nM 10.1021/jm400619b
Canis lupus familiaris MDCK permeability nan None 10.1016/j.bmcl.2015.01.023
Canis lupus familiaris MDCK Ratio nan None 10.1016/j.bmcl.2015.01.023
Homo sapiens 23132-87 IC50 69.5 nM 10.6019/CHEMBL1201861
Homo sapiens 5637 IC50 57.4 nM 10.6019/CHEMBL1201861
Homo sapiens 639-V IC50 150.13 nM 10.6019/CHEMBL1201861
Homo sapiens 647-V IC50 5747.06 nM 10.6019/CHEMBL1201861
Homo sapiens 697 IC50 11147.24 nM 10.6019/CHEMBL1201861
Homo sapiens 769-P IC50 212.8 nM 10.6019/CHEMBL1201861
Homo sapiens 786-0 GI50 63.83 nM None
Homo sapiens 786-0 IC50 153.81 nM 10.6019/CHEMBL1201861
Homo sapiens 8305C IC50 724.98 nM 10.6019/CHEMBL1201861
Homo sapiens 8505C IC50 999.82 nM 10.6019/CHEMBL1201861
Homo sapiens 8-MG-BA IC50 94.72 nM 10.6019/CHEMBL1201861
Homo sapiens A101D IC50 480.53 nM 10.6019/CHEMBL1201861
Homo sapiens A 172 IC50 210.22 nM 10.6019/CHEMBL1201861
Homo sapiens A204 IC50 22.49 nM 10.6019/CHEMBL1201861
Homo sapiens A2058 IC50 72.28 nM 10.6019/CHEMBL1201861
Homo sapiens A253 cell line IC50 1822.39 nM 10.6019/CHEMBL1201861
Homo sapiens A2780 IC50 25.31 nM 10.6019/CHEMBL1201861
Homo sapiens A2780 TGI 70.0 % 10.1021/jm9004708
Homo sapiens A-375 IC50 127.78 nM 10.6019/CHEMBL1201861
Homo sapiens A-375 IC50 1287.0 nM 10.1021/jm900230j
Homo sapiens A388 IC50 764.67 nM 10.6019/CHEMBL1201861
Homo sapiens A3-KAW IC50 341.62 nM 10.6019/CHEMBL1201861
Homo sapiens A-427 IC50 419.81 nM 10.6019/CHEMBL1201861
Homo sapiens A-431 IC50 69.0 nM 10.1016/j.ejmech.2012.03.036
Homo sapiens A-431 IC50 70.0 nM 10.1016/j.bmc.2010.06.068
Homo sapiens A-431 IC50 82.1 nM 10.6019/CHEMBL1201861
Homo sapiens A-431 IC50 89.0 nM 10.1016/j.ejmech.2014.09.078
Homo sapiens A-431 IC80 0.1 uM 10.1016/j.bmc.2010.06.068
Homo sapiens A498 GI50 5069.91 nM None
Homo sapiens A498 IC50 101.8 nM 10.6019/CHEMBL1201861
Homo sapiens A4-Fuk IC50 35066.04 nM 10.6019/CHEMBL1201861
Homo sapiens A549 GI50 7.5 nM 10.1016/j.ejmech.2019.111725
Homo sapiens A549 GI50 36.9 nM None
Homo sapiens A549 GI50 80.0 nM 10.1016/j.ejmech.2021.113428
Homo sapiens A549 GI50 nan None 10.1016/j.bmcl.2008.01.072
Homo sapiens A549 IC50 0.3029 nM 10.6019/CHEMBL1201861
Homo sapiens A549 IC50 81.0 nM 10.1016/j.ejmech.2014.09.078
Homo sapiens A549 IC50 10000.0 nM 10.1016/j.ejmech.2020.112624
Homo sapiens A549 IC50 10000.0 nM 10.1016/j.ejmech.2020.112988
Homo sapiens A549 IC50 nan None 10.1021/np400084t
Homo sapiens A673 IC50 55560.8 nM 10.6019/CHEMBL1201861
Homo sapiens A704 IC50 1665.63 nM 10.6019/CHEMBL1201861
Homo sapiens ABC-1 IC50 46853.79 nM 10.6019/CHEMBL1201861
Homo sapiens ACHN GI50 127.35 nM None
Homo sapiens ACHN IC50 605.69 nM 10.6019/CHEMBL1201861
Homo sapiens ACN IC50 41.62 nM 10.6019/CHEMBL1201861
Homo sapiens AGS IC50 19.38 nM 10.6019/CHEMBL1201861
Homo sapiens ALL-PO IC50 3623.35 nM 10.6019/CHEMBL1201861
Homo sapiens AM-38 IC50 208.48 nM 10.6019/CHEMBL1201861
Homo sapiens AN3-CA IC50 50.0 nM 10.6019/CHEMBL1201861
Homo sapiens ASPC1 IC50 152.25 nM 10.6019/CHEMBL1201861
Homo sapiens ATN-1 IC50 2330.82 nM 10.6019/CHEMBL1201861
Homo sapiens AU565 IC50 1159.73 nM 10.6019/CHEMBL1201861
Homo sapiens BALL-1 IC50 19339.91 nM 10.6019/CHEMBL1201861
Homo sapiens BB30-HNC IC50 173.3 nM 10.6019/CHEMBL1201861
Homo sapiens BB49-HNC IC50 42.43 nM 10.6019/CHEMBL1201861
Homo sapiens BB65-RCC IC50 105.54 nM 10.6019/CHEMBL1201861
Homo sapiens BCPAP IC50 188.72 nM 10.6019/CHEMBL1201861
Homo sapiens Bcr/Abl fusion protein IC50 1000.0 nM 10.1021/acs.jmedchem.5b01106
Homo sapiens Bcr/Abl fusion protein IC50 5000.0 nM 10.1021/acs.jmedchem.5b01106
Homo sapiens BE-13 IC50 10889.21 nM 10.6019/CHEMBL1201861
Homo sapiens Becker IC50 38.85 nM 10.6019/CHEMBL1201861
Homo sapiens BEN IC50 11850.99 nM 10.6019/CHEMBL1201861
Homo sapiens BFTC-905 IC50 315.21 nM 10.6019/CHEMBL1201861
Homo sapiens BFTC-909 IC50 79.69 nM 10.6019/CHEMBL1201861
Homo sapiens BHT-101 IC50 13834.51 nM 10.6019/CHEMBL1201861
Homo sapiens BHY IC50 236.91 nM 10.6019/CHEMBL1201861
Homo sapiens BPH-1 IC50 134.1 nM 10.6019/CHEMBL1201861
Homo sapiens BT-20 IC50 1112.04 nM 10.6019/CHEMBL1201861
Homo sapiens BT-474 GI50 5.0 nM 10.1016/j.bmcl.2009.04.030
Homo sapiens BT-474 IC50 10.0 nM 10.1021/jm050752+
Homo sapiens BT-474 IC50 45.0 nM 10.6019/CHEMBL1201861
Homo sapiens BT-549 GI50 5727.96 nM None
Homo sapiens BT-549 IC50 117.99 nM 10.6019/CHEMBL1201861
Homo sapiens BV-173 IC50 686.79 nM 10.6019/CHEMBL1201861
Homo sapiens BXPC-3 IC50 159.66 nM 10.6019/CHEMBL1201861
Homo sapiens C2BBe1 IC50 221.9 nM 10.6019/CHEMBL1201861
Homo sapiens C32 IC50 3.045 nM 10.6019/CHEMBL1201861
Homo sapiens C-33-A IC50 16621.38 nM 10.6019/CHEMBL1201861
Homo sapiens C3A IC50 454.37 nM 10.6019/CHEMBL1201861
Homo sapiens C8166 IC50 5363.39 nM 10.6019/CHEMBL1201861
Homo sapiens Ca9-22 IC50 4456.91 nM 10.6019/CHEMBL1201861
Homo sapiens CAKI-1 GI50 1285.29 nM None
Homo sapiens CAKI-1 IC50 321.11 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-120 IC50 533.99 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-12T IC50 427.8 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-27 IC50 190.22 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-33 IC50 7999.38 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-39 IC50 77.66 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-51 IC50 14.05 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-54 IC50 4059.1 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-62 IC50 161.69 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-72 IC50 8203.2 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-85-1 IC50 35281.69 nM 10.6019/CHEMBL1201861
Homo sapiens Calu-3 IC50 4785.48 nM 10.6019/CHEMBL1201861
Homo sapiens Calu-6 IC50 19492.02 nM 10.6019/CHEMBL1201861
Homo sapiens CAMA-1 IC50 129.24 nM 10.6019/CHEMBL1201861
Homo sapiens CAPAN-1 IC50 247.83 nM 10.6019/CHEMBL1201861
Homo sapiens Capan-2 IC50 192.56 nM 10.6019/CHEMBL1201861
Homo sapiens CaR-1 IC50 45.49 nM 10.6019/CHEMBL1201861
Homo sapiens CAS-1 IC50 1739.36 nM 10.6019/CHEMBL1201861
Homo sapiens Ca-Ski IC50 266.78 nM 10.6019/CHEMBL1201861
Homo sapiens CCRF-CEM GI50 493.17 nM None
Homo sapiens CCRF-CEM IC50 100.0 nM 10.1021/jm200784m
Homo sapiens CCRF-CEM IC50 37153.58 nM 10.6019/CHEMBL1201861
Homo sapiens CFPAC-1 IC50 375.18 nM 10.6019/CHEMBL1201861
Homo sapiens CGTH-W-1 IC50 23.49 nM 10.6019/CHEMBL1201861
Homo sapiens ChaGo-K-1 IC50 317.15 nM 10.6019/CHEMBL1201861
Homo sapiens CHL-1 IC50 22.51 nM 10.6019/CHEMBL1201861
Homo sapiens CHP-134 IC50 3473.9 nM 10.6019/CHEMBL1201861
Homo sapiens CHP-212 IC50 26.28 nM 10.6019/CHEMBL1201861
Homo sapiens CNE-2 IC50 3030.0 nM 10.1021/acs.jmedchem.0c01521
Homo sapiens CNE2Z IC50 8410.0 nM 10.1016/j.bmcl.2020.127282
Homo sapiens COLO 205 Activity nan None 10.1021/jm900012a
Homo sapiens COLO 205 GI50 12.36 nM None
Homo sapiens COLO-320-HSR IC50 13738.09 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-668 IC50 2432.0 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-678 IC50 240.44 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-679 IC50 112.11 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-680N IC50 193.64 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-684 IC50 345.01 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-741 IC50 31333.26 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-792 IC50 312.51 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-800 IC50 258.12 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-824 IC50 172.94 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-829 IC50 120.05 nM 10.6019/CHEMBL1201861
Homo sapiens COR-L105 IC50 79646.01 nM 10.6019/CHEMBL1201861
Homo sapiens COR-L23 IC50 467.64 nM 10.6019/CHEMBL1201861
Homo sapiens COR-L88 IC50 49.12 nM 10.6019/CHEMBL1201861
Homo sapiens CP50-MEL-B IC50 34.5 nM 10.6019/CHEMBL1201861
Homo sapiens CP66-MEL IC50 609.69 nM 10.6019/CHEMBL1201861
Homo sapiens CTB-1 IC50 327.53 nM 10.6019/CHEMBL1201861
Homo sapiens CTV-1 IC50 526.69 nM 10.6019/CHEMBL1201861
Homo sapiens CW-2 IC50 3553.14 nM 10.6019/CHEMBL1201861
Homo sapiens CWR22R IC50 3491.68 nM 10.6019/CHEMBL1201861
Homo sapiens D-247MG IC50 94.55 nM 10.6019/CHEMBL1201861
Homo sapiens D-263MG IC50 27.86 nM 10.6019/CHEMBL1201861
Homo sapiens D283 Med IC50 2247.82 nM 10.6019/CHEMBL1201861
Homo sapiens D-336MG IC50 33.09 nM 10.6019/CHEMBL1201861
Homo sapiens D-392MG IC50 893.56 nM 10.6019/CHEMBL1201861
Homo sapiens D-423MG IC50 6402.84 nM 10.6019/CHEMBL1201861
Homo sapiens D-502MG IC50 22826.09 nM 10.6019/CHEMBL1201861
Homo sapiens D-542MG IC50 1078.55 nM 10.6019/CHEMBL1201861
Homo sapiens D-566MG IC50 3.904 nM 10.6019/CHEMBL1201861
Homo sapiens Daoy IC50 317.23 nM 10.6019/CHEMBL1201861
Homo sapiens DB IC50 2977.59 nM 10.6019/CHEMBL1201861
Homo sapiens DBTRG-05MG IC50 580.53 nM 10.6019/CHEMBL1201861
Homo sapiens DEL IC50 184.5 nM 10.6019/CHEMBL1201861
Homo sapiens Detroit 562 IC50 42.39 nM 10.6019/CHEMBL1201861
Homo sapiens DJM-1 IC50 1198.81 nM 10.6019/CHEMBL1201861
Homo sapiens DK-MG IC50 371.88 nM 10.6019/CHEMBL1201861
Homo sapiens DLD-1 GI50 nan None 10.1016/j.bmcl.2008.01.072
Homo sapiens DMS-114 IC50 4546.91 nM 10.6019/CHEMBL1201861
Homo sapiens DMS-273 IC50 339.16 nM 10.6019/CHEMBL1201861
Homo sapiens DNA-dependent protein kinase IC50 40000.0 nM 10.1016/s0960-894x(01)00099-3
Homo sapiens DOHH-2 IC50 49665.57 nM 10.6019/CHEMBL1201861
Homo sapiens DOK IC50 49.02 nM 10.6019/CHEMBL1201861
Homo sapiens DoTc2-4510 IC50 207.69 nM 10.6019/CHEMBL1201861
Homo sapiens DSH1 IC50 38.07 nM 10.6019/CHEMBL1201861
Homo sapiens DU-145 Activity 15.9 % 10.1021/jm060836y
Homo sapiens DU-145 GI50 56.89 nM None
Homo sapiens DU-145 IC50 2791.62 nM 10.6019/CHEMBL1201861
Homo sapiens DU-145 IC50 68300.0 nM 10.1021/jm060836y
Homo sapiens DU-4475 IC50 22.61 nM 10.6019/CHEMBL1201861
Homo sapiens ECC10 IC50 7101.01 nM 10.6019/CHEMBL1201861
Homo sapiens EFM-19 IC50 736.71 nM 10.6019/CHEMBL1201861
Homo sapiens EFO-21 IC50 3569.4 nM 10.6019/CHEMBL1201861
Homo sapiens EFO-27 IC50 99.97 nM 10.6019/CHEMBL1201861
Homo sapiens EGI-1 IC50 19598.05 nM 10.6019/CHEMBL1201861
Homo sapiens EKVX GI50 4008.67 nM None
Homo sapiens EKVX IC50 1031.21 nM 10.6019/CHEMBL1201861
Homo sapiens EM-2 IC50 3690.11 nM 10.6019/CHEMBL1201861
Homo sapiens EOL1 IC50 222.03 nM 10.6019/CHEMBL1201861
Homo sapiens EPLC-272H IC50 62.05 nM 10.6019/CHEMBL1201861
Homo sapiens ES1 IC50 4860.57 nM 10.6019/CHEMBL1201861
Homo sapiens ES3 IC50 591.24 nM 10.6019/CHEMBL1201861
Homo sapiens ES4 IC50 4470.95 nM 10.6019/CHEMBL1201861
Homo sapiens ES5 IC50 5124.27 nM 10.6019/CHEMBL1201861
Homo sapiens ES6 IC50 4496.57 nM 10.6019/CHEMBL1201861
Homo sapiens ES7 IC50 11331.27 nM 10.6019/CHEMBL1201861
Homo sapiens ES8 IC50 307.84 nM 10.6019/CHEMBL1201861
Homo sapiens ESS-1 IC50 248.05 nM 10.6019/CHEMBL1201861
Homo sapiens ETK-1 IC50 159.0 nM 10.6019/CHEMBL1201861
Homo sapiens EW-1 IC50 43476.78 nM 10.6019/CHEMBL1201861
Homo sapiens EW-11 IC50 52894.85 nM 10.6019/CHEMBL1201861
Homo sapiens EW-13 IC50 5766.27 nM 10.6019/CHEMBL1201861
Homo sapiens EW-16 IC50 1828.75 nM 10.6019/CHEMBL1201861
Homo sapiens EW-18 IC50 389.41 nM 10.6019/CHEMBL1201861
Homo sapiens EW-22 IC50 2928.41 nM 10.6019/CHEMBL1201861
Homo sapiens EW-3 IC50 126.61 nM 10.6019/CHEMBL1201861
Homo sapiens FaDu IC50 2.093 nM 10.6019/CHEMBL1201861
Homo sapiens FTC-133 IC50 165.4 nM 10.6019/CHEMBL1201861
Homo sapiens G-361 IC50 226.82 nM 10.6019/CHEMBL1201861
Homo sapiens G-401 IC50 103.53 nM 10.6019/CHEMBL1201861
Homo sapiens G-402 IC50 47.89 nM 10.6019/CHEMBL1201861
Homo sapiens GAK IC50 135.67 nM 10.6019/CHEMBL1201861
Homo sapiens GAMG IC50 34.35 nM 10.6019/CHEMBL1201861
Homo sapiens GB-1 IC50 20353.46 nM 10.6019/CHEMBL1201861
Homo sapiens GCIY IC50 918.43 nM 10.6019/CHEMBL1201861
Homo sapiens GCT IC50 49697.57 nM 10.6019/CHEMBL1201861
Homo sapiens Geminin Potency 66.8 nM None
Homo sapiens GES1 CC50 7940.0 nM 10.1016/j.ejmech.2020.112988
Homo sapiens GI-1 IC50 145.58 nM 10.6019/CHEMBL1201861
Homo sapiens GI-ME-N IC50 772.35 nM 10.6019/CHEMBL1201861
Homo sapiens GMS-10 IC50 66.99 nM 10.6019/CHEMBL1201861
Homo sapiens GOTO IC50 451.6 nM 10.6019/CHEMBL1201861
Homo sapiens GP5d IC50 141.04 nM 10.6019/CHEMBL1201861
Homo sapiens GR-ST IC50 5522.01 nM 10.6019/CHEMBL1201861
Homo sapiens GT3TKB IC50 59.42 nM 10.6019/CHEMBL1201861
Homo sapiens H4 Activity 66.89 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 293.36 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 364.98 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 385.49 % 10.1073/pnas.0709695104
Homo sapiens H4 IC50 30.9 nM 10.6019/CHEMBL1201861
Homo sapiens H9 IC50 43.71 nM 10.6019/CHEMBL1201861
Homo sapiens HAL-01 IC50 38488.94 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1187 IC50 70724.64 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1395 IC50 9923.52 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1419 IC50 145.76 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1569 IC50 2245.83 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1806 IC50 71.31 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1937 IC50 162.75 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1954 IC50 2344.08 nM 10.6019/CHEMBL1201861
Homo sapiens HCC2157 IC50 387.81 nM 10.6019/CHEMBL1201861
Homo sapiens HCC2218 IC50 24.94 nM 10.6019/CHEMBL1201861
Homo sapiens HCC 2998 GI50 66.37 nM None
Homo sapiens HCC 2998 IC50 73.47 nM 10.6019/CHEMBL1201861
Homo sapiens HCC38 IC50 300.78 nM 10.6019/CHEMBL1201861
Homo sapiens HCC70 IC50 920.59 nM 10.6019/CHEMBL1201861
Homo sapiens HCE-4 IC50 474.46 nM 10.6019/CHEMBL1201861
Homo sapiens HCE-T IC50 386.03 nM 10.6019/CHEMBL1201861
Homo sapiens HCT-116 Activity 25.0 % 10.1021/ml500114p
Homo sapiens HCT-116 FC 2.0 None 10.1021/ml500114p
Homo sapiens HCT-116 GI 0.0 % 10.1021/jm901566c
Homo sapiens HCT-116 GI 12.0 % 10.1021/jm901566c
Homo sapiens HCT-116 GI 54.0 % 10.1021/jm901566c
Homo sapiens HCT-116 GI 72.0 % 10.1021/jm901566c
Homo sapiens HCT-116 GI 79.0 % 10.1021/jm901566c
Homo sapiens HCT-116 GI50 21.0 nM 10.1016/j.bmcl.2005.05.046
Homo sapiens HCT-116 GI50 31.05 nM None
Homo sapiens HCT-116 GI50 160.0 nM 10.1016/j.bmcl.2005.08.092
Homo sapiens HCT-116 GI50 160.0 nM 10.1021/jm050355z
Homo sapiens HCT-116 GI50 160.0 nM 10.1021/jm701018h
Homo sapiens HCT-116 GI50 340.0 nM 10.1016/j.ejmech.2019.111725
Homo sapiens HCT-116 GI50 340.0 nM 10.1016/j.ejmech.2021.113428
Homo sapiens HCT-116 GI50 nan None 10.1016/j.bmcl.2008.01.072
Homo sapiens HCT-116 IC50 56.5 nM 10.1021/jm901566c
Homo sapiens HCT-116 IC50 145.0 nM 10.1021/jm200784m
Homo sapiens HCT-116 IC50 170.0 nM 10.1016/j.bmcl.2006.01.099
Homo sapiens HCT-116 IC50 202.0 nM 10.1021/jm900012a
Homo sapiens HCT-116 IC50 265.99 nM 10.6019/CHEMBL1201861
Homo sapiens HCT-15 GI50 204.17 nM None
Homo sapiens HCT-15 IC50 410.0 nM 10.1021/jm200784m
Homo sapiens HCT-15 IC50 1430.68 nM 10.6019/CHEMBL1201861
Homo sapiens HCT-15 IC50 1487.0 nM 10.1021/jm900230j
Homo sapiens HDLM-2 IC50 1392.71 nM 10.6019/CHEMBL1201861
Homo sapiens HD-MY-Z IC50 108.73 nM 10.6019/CHEMBL1201861
Homo sapiens Heat shock protein 75 kDa, mitochondrial IC50 1496.0 nM 10.1021/jm400619b
Homo sapiens Heat shock protein HSP90 Activity 10.92 ng/ml 10.1016/j.bmcl.2020.127281
Homo sapiens Heat shock protein HSP90 Activity 86.78 ng/ml 10.1016/j.bmcl.2020.127281
Homo sapiens Heat shock protein HSP90 Activity nan None 10.1016/j.bmcl.2012.03.012
Homo sapiens Heat shock protein HSP90 Activity nan None 10.1021/jm901566c
Homo sapiens Heat shock protein HSP90 Activity nan None 10.1039/d0md00387e
Homo sapiens Heat shock protein HSP90 EC50 19.0 nM 10.1021/jm0603116
Homo sapiens Heat shock protein HSP90 EC50 22.0 nM 10.1021/jm0603116
Homo sapiens Heat shock protein HSP90 EC50 35.0 nM 10.1021/jm0603116
Homo sapiens Heat shock protein HSP90 EC50 45.0 nM 10.1016/j.bmcl.2006.03.092
Homo sapiens Heat shock protein HSP90 EC50 99.0 nM 10.1021/jm4002023
Homo sapiens Heat shock protein HSP90 EC50 110.0 nM 10.1016/j.bmcl.2003.08.065
Homo sapiens Heat shock protein HSP90 EC50 119.0 nM 10.1021/jm0603116
Homo sapiens Heat shock protein HSP90 IC50 3.0 nM 10.1021/jm900230j
Homo sapiens Heat shock protein HSP90 IC50 4.0 nM 10.1021/jm900230j
Homo sapiens Heat shock protein HSP90 IC50 7.0 nM 10.1021/jm050752+
Homo sapiens Heat shock protein HSP90 IC50 8.0 nM 10.1021/jm900230j
Homo sapiens Heat shock protein HSP90 IC50 20.0 nM 10.1021/jm050752+
Homo sapiens Heat shock protein HSP90 IC50 32.0 nM 10.1021/jm900230j
Homo sapiens Heat shock protein HSP90 IC50 33.0 nM 10.1021/acs.jmedchem.5b01106
Homo sapiens Heat shock protein HSP90 IC50 700.0 nM 10.1021/jm050752+
Homo sapiens Heat shock protein HSP90 IC50 1000.0 nM 10.1021/jm050752+
Homo sapiens Heat shock protein HSP90 IC50 1270.0 nM 10.1016/j.bmcl.2005.08.092
Homo sapiens Heat shock protein HSP90 IC50 1270.0 nM 10.1021/jm701018h
Homo sapiens Heat shock protein HSP90 IC50 1540.0 nM 10.1016/j.bmcl.2006.01.099
Homo sapiens Heat shock protein HSP90 IC50 2170.0 nM 10.1016/j.bmcl.2020.127281
Homo sapiens Heat shock protein HSP90 IC50 13400.0 nM 10.1016/j.bmcl.2003.11.011
Homo sapiens Heat shock protein HSP90 IC50 17700.0 nM 10.1016/j.bmcl.2006.01.099
Homo sapiens Heat shock protein HSP90 IC50 50000.0 nM 10.1021/jm050752+
Homo sapiens Heat shock protein HSP90 IC50 141620.0 nM 10.1016/j.ejmech.2021.113428
Homo sapiens Heat shock protein HSP90 Inhibition nan % 10.1016/j.bmcl.2011.06.083
Homo sapiens Heat shock protein HSP90 Inhibition nan % 10.1016/j.ejmech.2014.09.078
Homo sapiens Heat shock protein HSP90 Inhibition nan % 10.1016/j.ejmech.2016.04.050
Homo sapiens Heat shock protein HSP90 Inhibition nan % 10.1021/jm4002023
Homo sapiens Heat shock protein HSP90 Kd 240.0 nM 10.1016/j.bmcl.2009.01.003
Homo sapiens Heat shock protein HSP90 Ratio IC50 100.0 None 10.1021/acs.jmedchem.5b01106
Homo sapiens Heat shock protein HSP 90-alpha Activity nan None 10.1016/j.bmc.2011.08.048
Homo sapiens Heat shock protein HSP 90-alpha EC50 12.0 nM 10.1021/jm300810x
Homo sapiens Heat shock protein HSP 90-alpha EC50 60.0 nM 10.1016/j.bmcl.2010.10.010
Homo sapiens Heat shock protein HSP 90-alpha EC50 64.9 nM 10.1016/j.bmcl.2006.06.025
Homo sapiens Heat shock protein HSP 90-alpha EC50 100.0 nM 10.1016/j.bmcl.2010.10.010
Homo sapiens Heat shock protein HSP 90-alpha EC50 120.0 nM 10.1016/j.bmcl.2010.10.010
Homo sapiens Heat shock protein HSP 90-alpha EC50 1000.0 nM 10.1016/s0960-894x(01)00099-3
Homo sapiens Heat shock protein HSP 90-alpha GI50 32.0 nM 10.1016/j.bmcl.2009.04.030
Homo sapiens Heat shock protein HSP 90-alpha IC50 20.0 nM 10.1016/j.bmcl.2010.10.010
Homo sapiens Heat shock protein HSP 90-alpha IC50 20.21 nM 10.1016/j.ejmech.2020.112988
Homo sapiens Heat shock protein HSP 90-alpha IC50 46.0 nM 10.1021/jm400619b
Homo sapiens Heat shock protein HSP 90-alpha IC50 56.0 nM 10.1016/j.bmcl.2016.11.062
Homo sapiens Heat shock protein HSP 90-alpha IC50 140.0 nM 10.1016/j.ejmech.2014.09.078
Homo sapiens Heat shock protein HSP 90-alpha IC50 309.0 nM 10.1016/j.ejmech.2017.04.019
Homo sapiens Heat shock protein HSP 90-alpha IC50 780.0 nM 10.1016/j.ejmech.2014.07.101
Homo sapiens Heat shock protein HSP 90-alpha IC50 850.0 nM 10.1021/acs.jmedchem.0c01521
Homo sapiens Heat shock protein HSP 90-alpha IC50 1190.0 nM 10.1016/j.bmc.2011.08.048
Homo sapiens Heat shock protein HSP 90-alpha IC50 1270.0 nM 10.1021/jm050355z
Homo sapiens Heat shock protein HSP 90-alpha IC50 9800.0 nM 10.1016/j.bmcl.2010.10.010
Homo sapiens Heat shock protein HSP 90-alpha IC50 23200.0 nM 10.1021/jm401801t
Homo sapiens Heat shock protein HSP 90-alpha IC50 98330.0 nM 10.1016/j.ejmech.2019.111725
Homo sapiens Heat shock protein HSP 90-alpha INH 84.0 ug ml-1 10.1021/np200320u
Homo sapiens Heat shock protein HSP 90-alpha Inhibition 52.9 % 10.1016/j.ejmech.2017.04.019
Homo sapiens Heat shock protein HSP 90-alpha Inhibition 80.1 % 10.1021/acs.jmedchem.0c01521
Homo sapiens Heat shock protein HSP 90-alpha Inhibition 107.0 % 10.1016/j.bmcl.2016.11.062
Homo sapiens Heat shock protein HSP 90-alpha Inhibition nan % 10.1021/np400863d
Homo sapiens Heat shock protein HSP 90-alpha Kd 160.0 nM 10.1021/jm900012a
Homo sapiens Heat shock protein HSP 90-alpha Kd 200.0 nM 10.1016/j.bmcl.2009.01.003
Homo sapiens Heat shock protein HSP 90-alpha Kd 220.0 nM 10.1016/j.bmcl.2011.08.001
Homo sapiens Heat shock protein HSP 90-alpha Kd 310.0 nM 10.1021/np400863d
Homo sapiens Heat shock protein HSP 90-alpha Kd 326.0 nM 10.1021/jm301398y
Homo sapiens Heat shock protein HSP 90-alpha Kd 388.0 nM 10.1021/acs.jnatprod.8b00924
Homo sapiens Heat shock protein HSP 90-alpha Kd 760.0 nM 10.1021/jm900012a
Homo sapiens Heat shock protein HSP 90-alpha Kd 900.0 nM 10.1021/acs.jmedchem.0c01521
Homo sapiens Heat shock protein HSP 90-alpha Ki 4.6 nM 10.1021/jm9004708
Homo sapiens Heat shock protein HSP 90-alpha Ki 29.0 nM 10.1016/j.bmcl.2015.01.023
Homo sapiens Heat shock protein HSP 90-beta Activity 1270.0 nM 10.1021/jm9004708
Homo sapiens Heat shock protein HSP 90-beta Activity nan None 10.1038/nchembio.2007.10
Homo sapiens Heat shock protein HSP 90-beta EC50 1000.0 nM 10.1016/j.bmc.2008.10.087
Homo sapiens Heat shock protein HSP 90-beta IC50 7.0 nM 10.1021/jm9004708
Homo sapiens Heat shock protein HSP 90-beta IC50 12.0 nM 10.1021/jm9004708
Homo sapiens Heat shock protein HSP 90-beta IC50 15.0 nM 10.1016/j.bmc.2008.10.087
Homo sapiens Heat shock protein HSP 90-beta IC50 33.0 nM 10.1016/j.bmc.2008.10.087
Homo sapiens Heat shock protein HSP 90-beta IC50 45.0 nM 10.1021/jm400619b
Homo sapiens Heat shock protein HSP 90-beta IC50 810.0 nM 10.1021/acs.jmedchem.0c01521
Homo sapiens Heat shock protein HSP 90-beta IC50 1270.0 nM 10.1016/j.bmc.2011.08.048
Homo sapiens Heat shock protein HSP 90-beta IC50 26500.0 nM 10.1021/jm401801t
Homo sapiens Heat shock protein HSP 90-beta Inhibition nan % 10.1016/j.ejmech.2014.07.101
Homo sapiens Heat shock protein HSP 90-beta Inhibition nan % 10.1021/jm401686b
Homo sapiens Heat shock protein HSP 90-beta Inhibition nan % 10.1038/nchembio.2007.10
Homo sapiens Heat shock protein HSP 90-beta K 61.0 nM 10.1021/jm200784m
Homo sapiens Heat shock protein HSP 90-beta Ka 1.2 10'4/M/s 10.1021/jm200784m
Homo sapiens Heat shock protein HSP 90-beta Kd 7.3 nM 10.1021/jm200784m
Homo sapiens Heat shock protein HSP 90-beta Kd 900.0 nM 10.1021/acs.jmedchem.0c01521
Homo sapiens Heat shock protein HSP 90-beta Kd 1300.0 nM 10.1021/jm900098v
Homo sapiens Heat shock protein HSP 90-beta Kdiss 7.3 10'-4/s 10.1021/jm200784m
Homo sapiens Heat shock protein HSP 90-beta Ki 9.0 nM 10.1021/jm9004708
Homo sapiens Heat shock protein HSP 90-beta Ki 530.0 nM 10.1021/jm9004708
Homo sapiens HEC-1 IC50 65.88 nM 10.6019/CHEMBL1201861
Homo sapiens HEL IC50 43340.91 nM 10.6019/CHEMBL1201861
Homo sapiens HeLa Activity 10.8 % 10.1021/jm060836y
Homo sapiens HeLa IC50 128.0 nM 10.1016/j.ejmech.2014.09.078
Homo sapiens HeLa IC50 19400.0 nM 10.1021/acs.jmedchem.0c01521
Homo sapiens HeLa IC50 108200.0 nM 10.1021/jm060836y
Homo sapiens H-EMC-SS IC50 22045.05 nM 10.6019/CHEMBL1201861
Homo sapiens Hep 3B2 GI50 80.0 nM 10.1016/j.ejmech.2021.113428
Homo sapiens HepG2 IC50 91.0 nM 10.1016/j.ejmech.2014.09.078
Homo sapiens HepG2 IC50 320.0 nM 10.1016/j.bmcl.2020.127282
Homo sapiens HepG2 IC50 330.0 nM 10.1016/j.ejmech.2020.112988
Homo sapiens HepG2 IC50 8000.0 nM 10.1021/acs.jmedchem.0c01521
Homo sapiens HGC-27 IC50 5.099 nM 10.6019/CHEMBL1201861
Homo sapiens HH IC50 1238.31 nM 10.6019/CHEMBL1201861
Homo sapiens Histone deacetylase IC50 1000000.0 nM 10.1016/j.ejmech.2019.111725
Homo sapiens Histone deacetylase 6 Inhibition 1.8 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 26.69 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 15848.9 nM None
Homo sapiens HL-60 GI50 48.87 nM None
Homo sapiens HL-60 IC50 60.0 nM 10.1021/jm200784m
Homo sapiens HL-60 IC50 3043.76 nM 10.6019/CHEMBL1201861
Homo sapiens HL-60 IC50 nan None 10.1021/np400084t
Homo sapiens HLE IC50 12821.46 nM 10.6019/CHEMBL1201861
Homo sapiens HMV-2 cell line IC50 120.2 nM 10.6019/CHEMBL1201861
Homo sapiens HN IC50 42.72 nM 10.6019/CHEMBL1201861
Homo sapiens HO-1-N-1 IC50 40.21 nM 10.6019/CHEMBL1201861
Homo sapiens Homo sapiens AUC 12885.4 ng.hr.mL-1 10.1021/jm9004708
Homo sapiens Homo sapiens CL 36.0 L/hr 10.1124/dmd.110.036418
Homo sapiens Homo sapiens CL 42.0 L/hr 10.1021/jm9004708
Homo sapiens Homo sapiens Cmax 7500.0 nM 10.1021/jm9004708
Homo sapiens Homo sapiens MST 232.0 day 10.1021/jm500823a
Homo sapiens Homo sapiens MTD 56.0 mg/m2 10.1021/jm9004708
Homo sapiens Homo sapiens MTD 220.0 mg/m2 10.1021/jm9004708
Homo sapiens Homo sapiens T1/2 3.8 hr 10.1021/jm9004708
Homo sapiens Homo sapiens T1/2 4.0 hr 10.1124/dmd.110.036418
Homo sapiens Homo sapiens Vdss 140.0 l 10.1021/jm9004708
Homo sapiens HOP-62 GI50 150.31 nM None
Homo sapiens HOP-62 IC50 498.65 nM 10.6019/CHEMBL1201861
Homo sapiens HOP-92 GI50 3689.78 nM None
Homo sapiens HOP-92 IC50 1960.99 nM 10.6019/CHEMBL1201861
Homo sapiens HOS IC50 416.82 nM 10.6019/CHEMBL1201861
Homo sapiens HPAF-II IC50 212.64 nM 10.6019/CHEMBL1201861
Homo sapiens Hs-578T GI50 575.44 nM None
Homo sapiens Hs-578T IC50 72.08 nM 10.6019/CHEMBL1201861
Homo sapiens HSC-2 IC50 340.53 nM 10.6019/CHEMBL1201861
Homo sapiens HSC-3 IC50 9.287 nM 10.6019/CHEMBL1201861
Homo sapiens HT IC50 24475.34 nM 10.6019/CHEMBL1201861
Homo sapiens HT-1080 IC50 84.39 nM 10.6019/CHEMBL1201861
Homo sapiens HT1197 IC50 2631.88 nM 10.6019/CHEMBL1201861
Homo sapiens HT-1376 IC50 169.36 nM 10.6019/CHEMBL1201861
Homo sapiens HT-144 IC50 30.93 nM 10.6019/CHEMBL1201861
Homo sapiens HT-29 GI50 11.32 nM None
Homo sapiens HT-29 IC50 0.1 nM 10.1021/jm900230j
Homo sapiens HT-29 IC50 2.0 nM 10.1021/jm050752+
Homo sapiens HT-29 IC50 10.0 nM 10.1021/jm200784m
Homo sapiens HT-29 IC50 69.19 nM 10.6019/CHEMBL1201861
Homo sapiens HT-29 Inhibition nan % 10.1016/j.ejmech.2020.113030
Homo sapiens HT-3 IC50 482.17 nM 10.6019/CHEMBL1201861
Homo sapiens HT55 IC50 4845.45 nM 10.6019/CHEMBL1201861
Homo sapiens HTC-C3 IC50 265.06 nM 10.6019/CHEMBL1201861
Homo sapiens HuCCT-1 IC50 322.83 nM 10.6019/CHEMBL1201861
Homo sapiens Huh-7 IC50 3584.14 nM 10.6019/CHEMBL1201861
Homo sapiens HuO-3N1 IC50 52.37 nM 10.6019/CHEMBL1201861
Homo sapiens HuO9 IC50 75.89 nM 10.6019/CHEMBL1201861
Homo sapiens HuP-T3 IC50 401.43 nM 10.6019/CHEMBL1201861
Homo sapiens HuP-T4 IC50 129.43 nM 10.6019/CHEMBL1201861
Homo sapiens HuTu80 IC50 54702.81 nM 10.6019/CHEMBL1201861
Homo sapiens HUVEC GI50 100.0 nM 10.1016/j.ejmech.2021.113428
Homo sapiens HUVEC IC50 282.0 nM 10.1016/j.ejmech.2014.09.078
Homo sapiens Hypoxia-inducible factor 1 alpha Inhibition nan % 10.1021/jm301419d
Homo sapiens IA-LM IC50 23249.28 nM 10.6019/CHEMBL1201861
Homo sapiens IGR-1 IC50 790.43 nM 10.6019/CHEMBL1201861
Homo sapiens IGROV-1 GI50 33.11 nM None
Homo sapiens IGROV-1 IC50 184.43 nM 10.6019/CHEMBL1201861
Homo sapiens IST-MEL1 IC50 0.4075 nM 10.6019/CHEMBL1201861
Homo sapiens IST-MES1 IC50 34054.09 nM 10.6019/CHEMBL1201861
Homo sapiens IST-SL1 IC50 1797.59 nM 10.6019/CHEMBL1201861
Homo sapiens J82 IC50 272.65 nM 10.6019/CHEMBL1201861
Homo sapiens JAR IC50 24329.27 nM 10.6019/CHEMBL1201861
Homo sapiens JEG-3 IC50 187.05 nM 10.6019/CHEMBL1201861
Homo sapiens J-RT3-T3-5 IC50 2253.51 nM 10.6019/CHEMBL1201861
Homo sapiens JVM-2 IC50 15574.81 nM 10.6019/CHEMBL1201861
Homo sapiens JVM-3 IC50 638.04 nM 10.6019/CHEMBL1201861
Homo sapiens K5 IC50 243.8 nM 10.6019/CHEMBL1201861
Homo sapiens K562 AC50 3100.0 nM 10.1016/j.ejmech.2014.01.056
Homo sapiens K562 Activity nan None 10.1016/j.ejmech.2014.01.056
Homo sapiens K562 EC50 nan None 10.1016/j.bmcl.2008.01.072
Homo sapiens K562 GI50 40.46 nM None
Homo sapiens K562 GI50 48.0 nM 10.1016/j.bmcl.2009.04.030
Homo sapiens K562 IC50 126.0 nM 10.1021/jm900230j
Homo sapiens K562 IC50 150.0 nM 10.1016/j.ejmech.2014.01.056
Homo sapiens K562 IC50 4738.14 nM 10.6019/CHEMBL1201861
Homo sapiens KALS-1 IC50 113.93 nM 10.6019/CHEMBL1201861
Homo sapiens KARPAS-299 IC50 3260.27 nM 10.6019/CHEMBL1201861
Homo sapiens KARPAS-45 IC50 378.62 nM 10.6019/CHEMBL1201861
Homo sapiens KE-37 IC50 25092.75 nM 10.6019/CHEMBL1201861
Homo sapiens KG-1 IC50 9584.56 nM 10.6019/CHEMBL1201861
Homo sapiens KGN IC50 6099.21 nM 10.6019/CHEMBL1201861
Homo sapiens KINGS-1 IC50 245.29 nM 10.6019/CHEMBL1201861
Homo sapiens KLE IC50 3730.29 nM 10.6019/CHEMBL1201861
Homo sapiens KM12 GI50 16.52 nM None
Homo sapiens KM12 IC50 63.48 nM 10.6019/CHEMBL1201861
Homo sapiens KM-H2 IC50 3306.8 nM 10.6019/CHEMBL1201861
Homo sapiens KNS-42 IC50 1302.96 nM 10.6019/CHEMBL1201861
Homo sapiens KNS-62 IC50 320.88 nM 10.6019/CHEMBL1201861
Homo sapiens KNS-81-FD IC50 183.94 nM 10.6019/CHEMBL1201861
Homo sapiens KOSC-2 IC50 177.34 nM 10.6019/CHEMBL1201861
Homo sapiens KP-4 IC50 47.53 nM 10.6019/CHEMBL1201861
Homo sapiens KP-N-YN IC50 3934.76 nM 10.6019/CHEMBL1201861
Homo sapiens KP-N-YS IC50 374.63 nM 10.6019/CHEMBL1201861
Homo sapiens KS-1 IC50 13.55 nM 10.6019/CHEMBL1201861
Homo sapiens KU-19-19 IC50 18960.82 nM 10.6019/CHEMBL1201861
Homo sapiens KU812 cell line IC50 340.38 nM 10.6019/CHEMBL1201861
Homo sapiens KURAMOCHI IC50 951.92 nM 10.6019/CHEMBL1201861
Homo sapiens KY821 IC50 298.72 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-140 IC50 17202.78 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-150 cell line IC50 52.35 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-180 IC50 92.62 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-270 IC50 230.84 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-410 IC50 47.72 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-450 IC50 986.26 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-510 IC50 46.49 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-520 cell line IC50 182.0 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-70 cell line IC50 332.83 nM 10.6019/CHEMBL1201861
Homo sapiens L02 CC50 11650.0 nM 10.1016/j.ejmech.2020.112988
Homo sapiens L-363 IC50 82.06 nM 10.6019/CHEMBL1201861
Homo sapiens L-428 IC50 58206.73 nM 10.6019/CHEMBL1201861
Homo sapiens LAMA-84 IC50 1273.94 nM 10.6019/CHEMBL1201861
Homo sapiens LAN-6 IC50 15441.4 nM 10.6019/CHEMBL1201861
Homo sapiens LB1047-RCC IC50 52.96 nM 10.6019/CHEMBL1201861
Homo sapiens LB2241-RCC IC50 100.54 nM 10.6019/CHEMBL1201861
Homo sapiens LB2518-MEL IC50 257.77 nM 10.6019/CHEMBL1201861
Homo sapiens LB373-MEL-D IC50 2546.77 nM 10.6019/CHEMBL1201861
Homo sapiens LB771-HNC IC50 2205.95 nM 10.6019/CHEMBL1201861
Homo sapiens LB831-BLC IC50 138.83 nM 10.6019/CHEMBL1201861
Homo sapiens LB996-RCC IC50 336.19 nM 10.6019/CHEMBL1201861
Homo sapiens LC-2-ad IC50 141.21 nM 10.6019/CHEMBL1201861
Homo sapiens LCLC-103H cell line IC50 24844.86 nM 10.6019/CHEMBL1201861
Homo sapiens LCLC-97TM1 IC50 87.28 nM 10.6019/CHEMBL1201861
Homo sapiens Liver microsome Km 29100.0 nM 10.1124/dmd.110.036418
Homo sapiens Liver microsome Stability nan % 10.1124/dmd.110.036418
Homo sapiens LK-2 IC50 183.03 nM 10.6019/CHEMBL1201861
Homo sapiens LN-405 IC50 416.87 nM 10.6019/CHEMBL1201861
Homo sapiens LNCaP IC50 82.0 nM 10.1021/jm900230j
Homo sapiens LNCaP IC50 160.0 nM 10.1016/j.ejmech.2014.07.101
Homo sapiens LNCaP-Clone-FGC IC50 800.04 nM 10.6019/CHEMBL1201861
Homo sapiens LoVo IC50 260.0 nM 10.1016/j.ejmech.2020.112988
Homo sapiens LoVo IC50 5158.71 nM 10.6019/CHEMBL1201861
Homo sapiens LOX IMVI GI50 18.58 nM None
Homo sapiens LOX IMVI IC50 58.72 nM 10.6019/CHEMBL1201861
Homo sapiens LS-1034 IC50 5423.07 nM 10.6019/CHEMBL1201861
Homo sapiens LS-123 IC50 1390.94 nM 10.6019/CHEMBL1201861
Homo sapiens LS-411N IC50 465.27 nM 10.6019/CHEMBL1201861
Homo sapiens LS-513 IC50 239.61 nM 10.6019/CHEMBL1201861
Homo sapiens LU-134-A IC50 261.36 nM 10.6019/CHEMBL1201861
Homo sapiens LU-135 IC50 11230.67 nM 10.6019/CHEMBL1201861
Homo sapiens LU-139 IC50 2031.14 nM 10.6019/CHEMBL1201861
Homo sapiens Lu-65 IC50 925.91 nM 10.6019/CHEMBL1201861
Homo sapiens LU-99A IC50 62.37 nM 10.6019/CHEMBL1201861
Homo sapiens LXF-289 cell line IC50 4.192 nM 10.6019/CHEMBL1201861
Homo sapiens Lysine-specific demethylase 4B IC50 700.0 nM 10.1021/acs.jmedchem.2c00680
Homo sapiens Lysine-specific demethylase 4C IC50 700.0 nM 10.1021/acs.jmedchem.2c00680
Homo sapiens Lysine-specific demethylase 5A IC50 130.0 nM 10.1021/acs.jmedchem.2c00680
Homo sapiens Lysine-specific demethylase 6B IC50 400.0 nM 10.1021/acs.jmedchem.2c00680
Homo sapiens M059J IC50 90.27 nM 10.6019/CHEMBL1201861
Homo sapiens M14 GI50 21.43 nM None
Homo sapiens M14 IC50 79.13 nM 10.6019/CHEMBL1201861
Homo sapiens Malme-3M GI50 61.94 nM None
Homo sapiens MC116 IC50 66309.62 nM 10.6019/CHEMBL1201861
Homo sapiens MCF7 Activity nan None 10.1021/jm801569z
Homo sapiens MCF7 GI50 13.74 nM None
Homo sapiens MCF7 IC50 0.3 nM 10.1021/jm900230j
Homo sapiens MCF7 IC50 5.0 nM 10.1016/j.ejmech.2016.04.050
Homo sapiens MCF7 IC50 10.0 nM 10.1021/jm050752+
Homo sapiens MCF7 IC50 29.0 nM 10.1016/j.ejmech.2016.04.050
Homo sapiens MCF7 IC50 58.0 nM 10.1021/jm900012a
Homo sapiens MCF7 IC50 90.0 nM 10.1016/j.bmc.2011.08.048
Homo sapiens MCF7 IC50 96.77 nM 10.6019/CHEMBL1201861
Homo sapiens MCF7 IC50 662.0 nM 10.1021/jm900012a
Homo sapiens MCF7 IC50 nan None 10.1021/np400084t
Homo sapiens MC-IXC IC50 1423.71 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-157 IC50 180.82 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-175-VII IC50 33.54 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-231 GI 57.0 % 10.1016/j.ejmech.2014.07.101
Homo sapiens MDA-MB-231 GI50 270.0 nM 10.1016/j.ejmech.2021.113428
Homo sapiens MDA-MB-231 GI50 1114.29 nM None
Homo sapiens MDA-MB-231 IC50 194.0 nM 10.1021/jm900230j
Homo sapiens MDA-MB-231 IC50 280.0 nM 10.1016/j.ejmech.2014.07.101
Homo sapiens MDA-MB-231 IC50 280.0 nM 10.1016/j.ejmech.2014.09.078
Homo sapiens MDA-MB-231 IC50 1790.0 nM 10.1016/j.bmcl.2020.127282
Homo sapiens MDA-MB-231 IC50 45119.88 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-231 T/C 28.0 % 10.1016/j.ejmech.2014.09.078
Homo sapiens MDA-MB-231 T/C 35.0 % 10.1016/j.ejmech.2014.07.101
Homo sapiens MDA-MB-231 TGI 73.0 % 10.1016/j.ejmech.2014.09.078
Homo sapiens MDA-MB-361 IC50 14.95 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-415 IC50 708.29 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-435 GI50 42.66 nM None
Homo sapiens MDA-MB-453 IC50 671.8 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-468 Activity nan None 10.1016/j.ejmech.2016.04.050
Homo sapiens MDA-MB-468 GI50 780.0 nM 10.1016/j.bmcl.2009.04.030
Homo sapiens MDA-MB-468 IC50 1570.0 nM 10.1016/j.ejmech.2016.04.050
Homo sapiens MDA-N GI50 19.91 nM None
Homo sapiens ME-180 IC50 28.91 nM 10.6019/CHEMBL1201861
Homo sapiens MEG-01 IC50 14370.77 nM 10.6019/CHEMBL1201861
Homo sapiens MEL-HO IC50 72.55 nM 10.6019/CHEMBL1201861
Homo sapiens MEL-JUSO IC50 44.75 nM 10.6019/CHEMBL1201861
Homo sapiens MeWo IC50 148.89 nM 10.6019/CHEMBL1201861
Homo sapiens MFE-280 IC50 212.98 nM 10.6019/CHEMBL1201861
Homo sapiens MFH-ino IC50 19745.41 nM 10.6019/CHEMBL1201861
Homo sapiens MFM-223 IC50 263.63 nM 10.6019/CHEMBL1201861
Homo sapiens MG-63 IC50 2141.11 nM 10.6019/CHEMBL1201861
Homo sapiens MHH-ES-1 IC50 236.81 nM 10.6019/CHEMBL1201861
Homo sapiens MHH-NB-11 IC50 4754.61 nM 10.6019/CHEMBL1201861
Homo sapiens MHH-PREB-1 IC50 49600.75 nM 10.6019/CHEMBL1201861
Homo sapiens MIA PaCa-2 FC 2.0 None 10.1021/ml500114p
Homo sapiens MIA PaCa-2 IC50 10.09 nM 10.6019/CHEMBL1201861
Homo sapiens Microtubule-associated protein tau Potency 6309.6 nM None
Homo sapiens Microtubule-associated protein tau Potency 12589.3 nM None
Homo sapiens MKN-1 IC50 587.83 nM 10.6019/CHEMBL1201861
Homo sapiens MKN-28 IC50 666.24 nM 10.6019/CHEMBL1201861
Homo sapiens MKN-45 IC50 82.19 nM 10.6019/CHEMBL1201861
Homo sapiens MKN-7 IC50 10976.46 nM 10.6019/CHEMBL1201861
Homo sapiens ML-2 IC50 231.19 nM 10.6019/CHEMBL1201861
Homo sapiens MLMA IC50 1324.07 nM 10.6019/CHEMBL1201861
Homo sapiens MMAC-SF IC50 105.31 nM 10.6019/CHEMBL1201861
Homo sapiens MN-60 IC50 14789.36 nM 10.6019/CHEMBL1201861
Homo sapiens Mo IC50 12742.12 nM 10.6019/CHEMBL1201861
Homo sapiens MOLT-13 IC50 27351.57 nM 10.6019/CHEMBL1201861
Homo sapiens MOLT-16 IC50 33005.46 nM 10.6019/CHEMBL1201861
Homo sapiens MOLT-4 GI50 527.23 nM None
Homo sapiens MOLT-4 IC50 2853.22 nM 10.6019/CHEMBL1201861
Homo sapiens MPP-89 IC50 141.25 nM 10.6019/CHEMBL1201861
Homo sapiens MRC5 CC50 14240.0 nM 10.1016/j.ejmech.2020.112988
Homo sapiens MS-1 IC50 4161.55 nM 10.6019/CHEMBL1201861
Homo sapiens MSTO-211H IC50 557.62 nM 10.6019/CHEMBL1201861
Homo sapiens MV4-11 GI50 11.0 nM 10.1016/j.bmcl.2009.04.030
Homo sapiens MV4-11 IC50 68.03 nM 10.6019/CHEMBL1201861
Homo sapiens MX1 IC50 45.0 nM 10.1021/jm200784m
Homo sapiens MZ1-PC IC50 12545.2 nM 10.6019/CHEMBL1201861
Homo sapiens MZ2-MEL IC50 65.53 nM 10.6019/CHEMBL1201861
Homo sapiens MZ7-mel IC50 176.49 nM 10.6019/CHEMBL1201861
Homo sapiens NB10 IC50 1133.44 nM 10.6019/CHEMBL1201861
Homo sapiens NB12 IC50 1356.36 nM 10.6019/CHEMBL1201861
Homo sapiens NB13 IC50 368.29 nM 10.6019/CHEMBL1201861
Homo sapiens NB14 IC50 84244.39 nM 10.6019/CHEMBL1201861
Homo sapiens NB17 IC50 880.25 nM 10.6019/CHEMBL1201861
Homo sapiens NB5 IC50 3506.89 nM 10.6019/CHEMBL1201861
Homo sapiens NB6 IC50 32287.62 nM 10.6019/CHEMBL1201861
Homo sapiens NB69 IC50 270.87 nM 10.6019/CHEMBL1201861
Homo sapiens NB7 IC50 2196.73 nM 10.6019/CHEMBL1201861
Homo sapiens NBsusSR IC50 372.85 nM 10.6019/CHEMBL1201861
Homo sapiens NCI/ADR-RES GI50 5688.53 nM None
Homo sapiens NCI-H1048 IC50 289.56 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1092 IC50 5728.43 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1155 IC50 261.62 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1299 IC50 162.85 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1299 IC50 200.0 nM 10.1016/j.ejmech.2017.04.019
Homo sapiens NCI-H1304 IC50 15042.51 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1355 IC50 280.74 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1395 IC50 186.82 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1437 IC50 121.57 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1563 IC50 948.65 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1573 IC50 455.69 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1581 IC50 102.9 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1623 IC50 27130.32 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1648 IC50 152.32 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1650 IC50 200.57 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1650 TGI 30.0 % 10.1021/jm9004708
Homo sapiens NCI-H1651 IC50 700.0 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1666 IC50 127.74 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1693 IC50 20650.53 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1703 IC50 414.46 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1755 IC50 63.41 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1770 IC50 12125.98 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1792 IC50 96.18 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1793 IC50 385.1 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1838 IC50 1363.06 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1975 GI50 35.0 nM 10.1016/j.bmcl.2009.04.030
Homo sapiens NCI-H1975 GI50 160.0 nM 10.1016/j.ejmech.2019.111725
Homo sapiens NCI-H1993 IC50 7830.63 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2009 IC50 853.11 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2029 IC50 3224.77 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2030 IC50 54.14 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2052 IC50 1305.07 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2087 IC50 173.68 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H209 IC50 4299.99 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2122 IC50 97.45 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2126 IC50 568.15 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2170 IC50 175.36 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2228 IC50 353.57 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H226 GI50 4487.45 nM None
Homo sapiens NCI-H226 IC50 1893.59 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2291 IC50 478.96 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H23 GI50 13.96 nM None
Homo sapiens NCI-H23 IC50 26.65 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2342 IC50 15204.39 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2347 IC50 148.39 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2405 IC50 346.31 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2452 IC50 139.56 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H28 IC50 118.17 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H292 IC50 131.1 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H322M GI50 97.72 nM None
Homo sapiens NCI-H358 IC50 687.26 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H441 IC50 2023.37 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H446 IC50 48505.78 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H460 GI50 13.61 nM None
Homo sapiens NCI-H460 IC50 10.0 nM 10.1016/j.ejmech.2012.03.036
Homo sapiens NCI-H460 IC50 19.74 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H460 IC50 30.0 nM 10.1021/jm200784m
Homo sapiens NCI-H460 IC50 255.0 nM 10.1021/jm900230j
Homo sapiens NCI-H520 IC50 387.03 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H522 GI50 43.15 nM None
Homo sapiens NCI-H522 IC50 877.83 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H526 IC50 1378.53 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H596 IC50 1450.61 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H596 IC50 1600.0 nM 10.1021/jm900012a
Homo sapiens NCI-H630 IC50 16853.73 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H650 IC50 176.82 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H661 IC50 611.04 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H69 IC50 976.34 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H720 IC50 25.46 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H727 IC50 1101.54 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H747 IC50 241.69 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H810 IC50 4397.36 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H82 IC50 7457.01 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-N87 GI50 1.0 nM 10.1016/j.bmcl.2009.04.030
Homo sapiens NCI-N87 IC50 25.93 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-N87 TGI 70.0 % 10.1021/jm050752+
Homo sapiens NCM460 CC50 14210.0 nM 10.1016/j.ejmech.2020.112988
Homo sapiens NEC8 IC50 3918.08 nM 10.6019/CHEMBL1201861
Homo sapiens NH-12 IC50 2150.06 nM 10.6019/CHEMBL1201861
Homo sapiens NKM-1 IC50 106.66 nM 10.6019/CHEMBL1201861
Homo sapiens NMC-G1 IC50 292.77 nM 10.6019/CHEMBL1201861
Homo sapiens no-10 IC50 2549.47 nM 10.6019/CHEMBL1201861
Homo sapiens no-11 IC50 369.5 nM 10.6019/CHEMBL1201861
Homo sapiens NOMO-1 IC50 4321.31 nM 10.6019/CHEMBL1201861
Homo sapiens NOS-1 IC50 974.89 nM 10.6019/CHEMBL1201861
Homo sapiens NTERA-2-cl-D1 IC50 328.36 nM 10.6019/CHEMBL1201861
Homo sapiens NUGC-3 IC50 144.78 nM 10.6019/CHEMBL1201861
Homo sapiens NY IC50 3085.42 nM 10.6019/CHEMBL1201861
Homo sapiens OAW-28 IC50 62909.17 nM 10.6019/CHEMBL1201861
Homo sapiens OAW-42 IC50 1183.06 nM 10.6019/CHEMBL1201861
Homo sapiens OC-314 IC50 166.9 nM 10.6019/CHEMBL1201861
Homo sapiens OCI-AML2 IC50 653.97 nM 10.6019/CHEMBL1201861
Homo sapiens OCUB-M IC50 14160.24 nM 10.6019/CHEMBL1201861
Homo sapiens OE19 IC50 30.77 nM 10.6019/CHEMBL1201861
Homo sapiens OE33 IC50 851.01 nM 10.6019/CHEMBL1201861
Homo sapiens OMC-1 IC50 117.97 nM 10.6019/CHEMBL1201861
Homo sapiens ONS-76 IC50 4579.5 nM 10.6019/CHEMBL1201861
Homo sapiens OS-RC-2 IC50 245.09 nM 10.6019/CHEMBL1201861
Homo sapiens OVCAR-3 GI50 115.08 nM None
Homo sapiens OVCAR-3 IC50 480.0 nM 10.1016/j.ejmech.2020.112988
Homo sapiens OVCAR-3 IC50 593.41 nM 10.6019/CHEMBL1201861
Homo sapiens OVCAR-4 GI50 4385.31 nM None
Homo sapiens OVCAR-4 IC50 1696.07 nM 10.6019/CHEMBL1201861
Homo sapiens OVCAR-5 GI50 176.6 nM None
Homo sapiens OVCAR-5 IC50 34.8 nM 10.6019/CHEMBL1201861
Homo sapiens OVCAR-8 GI50 60.67 nM None
Homo sapiens OVCAR-8 IC50 86.22 nM 10.6019/CHEMBL1201861
Homo sapiens P12-Ichikawa IC50 7455.23 nM 10.6019/CHEMBL1201861
Homo sapiens P30-OHK IC50 16061.39 nM 10.6019/CHEMBL1201861
Homo sapiens PA-1 IC50 954.24 nM 10.6019/CHEMBL1201861
Homo sapiens PANC-03-27 IC50 102.86 nM 10.6019/CHEMBL1201861
Homo sapiens PANC-08-13 IC50 531.77 nM 10.6019/CHEMBL1201861
Homo sapiens PANC-1 IC50 3210.0 nM 10.1016/j.ejmech.2020.112988
Homo sapiens Panc1005 IC50 411.7 nM 10.6019/CHEMBL1201861
Homo sapiens PC-14 IC50 132.11 nM 10.6019/CHEMBL1201861
Homo sapiens PC-3 FC 0.264 None 10.1038/nchembio790
Homo sapiens PC-3 GI50 46.99 nM None
Homo sapiens PC-3 IC50 9.0 nM 10.1021/jm900230j
Homo sapiens PC-3 IC50 62.0 nM 10.1016/j.ejmech.2020.112624
Homo sapiens PC-3 IC50 130.0 nM 10.1021/jm200784m
Homo sapiens PC-3 IC50 515.07 nM 10.6019/CHEMBL1201861
Homo sapiens PFSK-1 IC50 1014.28 nM 10.6019/CHEMBL1201861
Homo sapiens Prelamin-A/C Potency 11220.2 nM None
Homo sapiens PSN1 IC50 46.03 nM 10.6019/CHEMBL1201861
Homo sapiens QIMR-WIL IC50 851.41 nM 10.6019/CHEMBL1201861
Homo sapiens Ramos-2G6-4C10 IC50 15058.14 nM 10.6019/CHEMBL1201861
Homo sapiens RCC10RGB IC50 13671.02 nM 10.6019/CHEMBL1201861
Homo sapiens RCM-1 IC50 1055.07 nM 10.6019/CHEMBL1201861
Homo sapiens RD IC50 191.13 nM 10.6019/CHEMBL1201861
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 31.0 nM 10.1016/j.bmc.2008.10.087
Homo sapiens Regulator of G-protein signaling 4 Potency 188.9 nM None
Homo sapiens RERF-LC-MS IC50 746.13 nM 10.6019/CHEMBL1201861
Homo sapiens RH-1 IC50 7852.44 nM 10.6019/CHEMBL1201861
Homo sapiens RH-18 IC50 1131.03 nM 10.6019/CHEMBL1201861
Homo sapiens RKO IC50 117.64 nM 10.6019/CHEMBL1201861
Homo sapiens RMG-I IC50 56537.38 nM 10.6019/CHEMBL1201861
Homo sapiens RO82-W-1 IC50 396.99 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI-2650 IC50 4363.27 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI-7951 IC50 7.175 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI-8226 GI50 73.11 nM None
Homo sapiens RPMI-8226 IC50 663.23 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI-8866 IC50 16849.62 nM 10.6019/CHEMBL1201861
Homo sapiens RPTEC IC50 100.0 nM 10.1021/jm050752+
Homo sapiens RPTEC IC50 10000.0 nM 10.1021/jm050752+
Homo sapiens RPTEC IC50 50000.0 nM 10.1021/jm050752+
Homo sapiens RS4-11 IC50 14742.02 nM 10.6019/CHEMBL1201861
Homo sapiens RT-112 IC50 140.35 nM 10.6019/CHEMBL1201861
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 22387.2 nM None
Homo sapiens RVH-421 IC50 191.16 nM 10.6019/CHEMBL1201861
Homo sapiens RXF 393 GI50 81.28 nM None
Homo sapiens RXF 393 IC50 119.82 nM 10.6019/CHEMBL1201861
Homo sapiens S-117 IC50 205.64 nM 10.6019/CHEMBL1201861
Homo sapiens SAOS-2 IC50 878.71 nM 10.6019/CHEMBL1201861
Homo sapiens SAS IC50 126.9 nM 10.6019/CHEMBL1201861
Homo sapiens SBC-1 IC50 267.42 nM 10.6019/CHEMBL1201861
Homo sapiens SBC-5 IC50 201.18 nM 10.6019/CHEMBL1201861
Homo sapiens SCC-15 IC50 2393.12 nM 10.6019/CHEMBL1201861
Homo sapiens SCC-25 IC50 245.63 nM 10.6019/CHEMBL1201861
Homo sapiens SCC-4 IC50 177.77 nM 10.6019/CHEMBL1201861
Homo sapiens SCC-9 IC50 167.16 nM 10.6019/CHEMBL1201861
Homo sapiens SCH IC50 60223.82 nM 10.6019/CHEMBL1201861
Homo sapiens Serine/threonine-protein kinase mTOR Potency 252.4 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 515.0 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 6484.1 nM None
Homo sapiens SF-126 IC50 4931.84 nM 10.6019/CHEMBL1201861
Homo sapiens SF-268 GI50 592.93 nM None
Homo sapiens SF-268 IC50 643.49 nM 10.6019/CHEMBL1201861
Homo sapiens SF-295 GI50 74.47 nM None
Homo sapiens SF-295 IC50 64.52 nM 10.6019/CHEMBL1201861
Homo sapiens SF-539 GI50 42.76 nM None
Homo sapiens SF-539 IC50 66.81 nM 10.6019/CHEMBL1201861
Homo sapiens SGC-7901 IC50 10000.0 nM 10.1016/j.ejmech.2020.112988
Homo sapiens SH-4 IC50 113.56 nM 10.6019/CHEMBL1201861
Homo sapiens SHP77 IC50 904.85 nM 10.6019/CHEMBL1201861
Homo sapiens SiHa IC50 104.86 nM 10.6019/CHEMBL1201861
Homo sapiens SJRH30 IC50 2042.53 nM 10.6019/CHEMBL1201861
Homo sapiens SJSA-1 IC50 318.47 nM 10.6019/CHEMBL1201861
Homo sapiens SK-BR-3 EC50 25.0 nM 10.1016/j.bmcl.2010.10.010
Homo sapiens SK-BR-3 GI50 17.0 nM 10.1021/jm0603116
Homo sapiens SK-BR-3 IC50 25.0 nM 10.1021/jm200784m
Homo sapiens SK-BR-3 IC50 27.0 nM 10.1021/np0496744
Homo sapiens SK-BR-3 IC50 31.0 nM 10.1021/jm00019a010
Homo sapiens SK-BR-3 IC50 31.0 nM 10.1021/jm00019a011
Homo sapiens SK-BR-3 IC50 33.0 nM 10.1021/jm900098v
Homo sapiens SK-BR-3 IC50 38.0 nM 10.1016/j.ejmech.2020.112624
Homo sapiens SK-BR-3 IC50 44.0 nM 10.1021/jm900012a
Homo sapiens SK-BR-3 IC50 410.0 nM 10.1021/jm900012a
Homo sapiens SK-BR-3 Inhibition 55.0 % 10.1021/jm00019a010
Homo sapiens SK-BR-3 Inhibition 68.0 % 10.1021/jm00019a010
Homo sapiens SKG-IIIa IC50 49.86 nM 10.6019/CHEMBL1201861
Homo sapiens SK-HEP1 IC50 11764.6 nM 10.6019/CHEMBL1201861
Homo sapiens SK-LMS-1 IC50 87974.68 nM 10.6019/CHEMBL1201861
Homo sapiens SK-LU-1 IC50 30.82 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL-1 IC50 4035.18 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL-2 GI50 291.74 nM None
Homo sapiens SK-MEL-2 IC50 90.6 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL-24 IC50 138.7 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL-28 GI50 396.28 nM None
Homo sapiens SK-MEL-28 IC50 113.21 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL3 IC50 815.08 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL-30 IC50 911.85 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL-5 GI50 25.88 nM None
Homo sapiens SK-MEL-5 IC50 134.0 nM 10.1021/jm900230j
Homo sapiens SK-MES-1 IC50 36.06 nM 10.6019/CHEMBL1201861
Homo sapiens SK-N-AS IC50 2846.92 nM 10.6019/CHEMBL1201861
Homo sapiens SK-N-DZ IC50 3050.75 nM 10.6019/CHEMBL1201861
Homo sapiens SK-NEP-1 IC50 1869.88 nM 10.6019/CHEMBL1201861
Homo sapiens SK-N-FI IC50 4850.09 nM 10.6019/CHEMBL1201861
Homo sapiens SK-OV-3 GI50 15.0 nM 10.1021/jm0603116
Homo sapiens SK-OV-3 GI50 26.24 nM None
Homo sapiens SK-OV-3 IC50 175.71 nM 10.6019/CHEMBL1201861
Homo sapiens SK-OV-3 IC50 220.0 nM 10.1016/j.ejmech.2020.112624
Homo sapiens SK-OV-3 IC50 240.0 nM 10.1021/jm900012a
Homo sapiens SK-PN-DW IC50 1100.56 nM 10.6019/CHEMBL1201861
Homo sapiens SK-UT-1 IC50 31.78 nM 10.6019/CHEMBL1201861
Homo sapiens SMMC-7721 IC50 190.0 nM 10.1016/j.bmcl.2020.127282
Homo sapiens SMMC-7721 IC50 nan None 10.1021/np400084t
Homo sapiens SN12C GI50 30.76 nM None
Homo sapiens SN12C IC50 101.07 nM 10.6019/CHEMBL1201861
Homo sapiens SNB-19 GI50 524.81 nM None
Homo sapiens SNB-75 GI50 17.34 nM None
Homo sapiens SNB-75 IC50 121.69 nM 10.6019/CHEMBL1201861
Homo sapiens SNU1 IC50 2.068 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-387 IC50 5323.39 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-423 IC50 9366.66 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-449 IC50 24874.12 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-5 IC50 305.4 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-C2B IC50 579.77 nM 10.6019/CHEMBL1201861
Homo sapiens SR GI50 15.81 nM None
Homo sapiens Survival motor neuron protein Potency 794.3 nM None
Homo sapiens SW1088 IC50 164.13 nM 10.6019/CHEMBL1201861
Homo sapiens SW 1116 IC50 20936.18 nM 10.6019/CHEMBL1201861
Homo sapiens SW13 IC50 12154.11 nM 10.6019/CHEMBL1201861
Homo sapiens SW1417 IC50 1728.49 nM 10.6019/CHEMBL1201861
Homo sapiens SW1463 IC50 23789.97 nM 10.6019/CHEMBL1201861
Homo sapiens SW1573 IC50 147.58 nM 10.6019/CHEMBL1201861
Homo sapiens SW1710 IC50 294.94 nM 10.6019/CHEMBL1201861
Homo sapiens SW1783 IC50 339.97 nM 10.6019/CHEMBL1201861
Homo sapiens SW1990 IC50 121.57 nM 10.6019/CHEMBL1201861
Homo sapiens SW48 IC50 50.39 nM 10.6019/CHEMBL1201861
Homo sapiens SW480 IC50 280.0 nM 10.1016/j.bmcl.2020.127282
Homo sapiens SW480 IC50 572.0 nM 10.1016/j.ejmech.2014.09.078
Homo sapiens SW480 IC50 nan None 10.1021/np400084t
Homo sapiens SW-620 Activity nan None 10.1016/j.ejmech.2020.112988
Homo sapiens SW-620 GI50 278.61 nM None
Homo sapiens SW-620 IC50 70.26 nM 10.6019/CHEMBL1201861
Homo sapiens SW-620 IC50 328.0 nM 10.1021/jm900230j
Homo sapiens SW-620 TGI 29.6 % 10.1016/j.ejmech.2020.112988
Homo sapiens SW626 IC50 335.32 nM 10.6019/CHEMBL1201861
Homo sapiens SW684 IC50 65.91 nM 10.6019/CHEMBL1201861
Homo sapiens SW756 IC50 441.83 nM 10.6019/CHEMBL1201861
Homo sapiens SW780 IC50 42.03 nM 10.6019/CHEMBL1201861
Homo sapiens SW837 IC50 1109.54 nM 10.6019/CHEMBL1201861
Homo sapiens SW872 IC50 607.63 nM 10.6019/CHEMBL1201861
Homo sapiens SW900 IC50 1078.3 nM 10.6019/CHEMBL1201861
Homo sapiens SW948 IC50 7960.49 nM 10.6019/CHEMBL1201861
Homo sapiens SW 954 IC50 292.27 nM 10.6019/CHEMBL1201861
Homo sapiens SW 962 IC50 39.45 nM 10.6019/CHEMBL1201861
Homo sapiens SW982 IC50 29.99 nM 10.6019/CHEMBL1201861
Homo sapiens T-24 IC50 331.59 nM 10.6019/CHEMBL1201861
Homo sapiens T47D GI50 847.23 nM None
Homo sapiens T47D IC50 3105.58 nM 10.6019/CHEMBL1201861
Homo sapiens T84 IC50 18869.54 nM 10.6019/CHEMBL1201861
Homo sapiens T98G IC50 41.03 nM 10.6019/CHEMBL1201861
Homo sapiens TCC-SUP IC50 59.64 nM 10.6019/CHEMBL1201861
Homo sapiens TE-1 IC50 92.04 nM 10.6019/CHEMBL1201861
Homo sapiens TE-10 IC50 414.47 nM 10.6019/CHEMBL1201861
Homo sapiens TE-11 IC50 79.96 nM 10.6019/CHEMBL1201861
Homo sapiens TE-12 IC50 1133.33 nM 10.6019/CHEMBL1201861
Homo sapiens TE-5 IC50 7412.98 nM 10.6019/CHEMBL1201861
Homo sapiens TE-6 IC50 257.5 nM 10.6019/CHEMBL1201861
Homo sapiens TE-8 IC50 112.64 nM 10.6019/CHEMBL1201861
Homo sapiens TE-9 IC50 217.86 nM 10.6019/CHEMBL1201861
Homo sapiens TGBC11TKB IC50 109.03 nM 10.6019/CHEMBL1201861
Homo sapiens TGBC1TKB IC50 80.43 nM 10.6019/CHEMBL1201861
Homo sapiens TGBC24TKB IC50 1000.84 nM 10.6019/CHEMBL1201861
Homo sapiens TGW IC50 105301.96 nM 10.6019/CHEMBL1201861
Homo sapiens TI-73 IC50 17.96 nM 10.6019/CHEMBL1201861
Homo sapiens TK-10 GI50 88.1 nM None
Homo sapiens TK-10 IC50 231.17 nM 10.6019/CHEMBL1201861
Homo sapiens TYK-nu IC50 39.85 nM 10.6019/CHEMBL1201861
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 375.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 1059.3 nM None
Homo sapiens U-118-MG IC50 275.79 nM 10.6019/CHEMBL1201861
Homo sapiens U-251 GI50 158.12 nM None
Homo sapiens U-251 IC50 105.25 nM 10.6019/CHEMBL1201861
Homo sapiens U-266 IC50 8157.77 nM 10.6019/CHEMBL1201861
Homo sapiens U2OS IC50 171.73 nM 10.6019/CHEMBL1201861
Homo sapiens U-87 MG IC50 103.07 nM 10.6019/CHEMBL1201861
Homo sapiens U-87 MG IC50 10000.0 nM 10.1016/j.ejmech.2020.112624
Homo sapiens UACC-257 GI50 53.21 nM None
Homo sapiens UACC-257 IC50 822.31 nM 10.6019/CHEMBL1201861
Homo sapiens UACC-62 GI50 32.58 nM None
Homo sapiens UACC-62 IC50 322.27 nM 10.6019/CHEMBL1201861
Homo sapiens UACC-893 IC50 636.81 nM 10.6019/CHEMBL1201861
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 100000.0 nM None
Homo sapiens UDP-glucuronosyltransferases (UGTs) Drug metabolism nan None 10.1016/j.bmcl.2020.127282
Homo sapiens UMC-11 IC50 552.34 nM 10.6019/CHEMBL1201861
Homo sapiens UMUC3 IC50 454.7 nM 10.6019/CHEMBL1201861
Homo sapiens UO-31 GI50 427.56 nM None
Homo sapiens UO-31 IC50 205.47 nM 10.6019/CHEMBL1201861
Homo sapiens VA-ES-BJ IC50 44.47 nM 10.6019/CHEMBL1201861
Homo sapiens Vitamin D receptor Potency 50118.7 nM None
Homo sapiens VM-CUB-1 IC50 36.57 nM 10.6019/CHEMBL1201861
Homo sapiens VMRC-RCZ IC50 137.62 nM 10.6019/CHEMBL1201861
Homo sapiens WM-115 IC50 37.62 nM 10.6019/CHEMBL1201861
Homo sapiens YAPC IC50 450.8 nM 10.6019/CHEMBL1201861
Homo sapiens YH-13 IC50 57.22 nM 10.6019/CHEMBL1201861
Homo sapiens YKG-1 IC50 50.71 nM 10.6019/CHEMBL1201861
Homo sapiens ZR-75-30 IC50 1470.82 nM 10.6019/CHEMBL1201861
Mus musculus 4T1 Activity nan None 10.1016/j.bmcl.2021.128338
Mus musculus 661W Activity 10.0 uM 10.1016/j.ejmech.2021.113428
Mus musculus Androgen Receptor Activity 80.0 % 10.1021/acs.jmedchem.2c01487
Mus musculus B16-F10 IC50 200.0 nM 10.1021/jm200784m
Mus musculus Liver AUC 154039.1 ng.hr.mL-1 10.1021/jm9004708
Mus musculus Liver CL 0.01 L/hr 10.1021/jm9004708
Mus musculus Liver Cmax 126000.0 nM 10.1021/jm9004708
Mus musculus Liver T1/2 0.86 hr 10.1021/jm9004708
Mus musculus Liver Vz 0.01 l 10.1021/jm9004708
Mus musculus Mus musculus Activity 0.2 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 0.25 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 1.1 mg/dl 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 22.5 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 22.7 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 64.7 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 66.6 U/L 10.1016/j.ejmech.2014.07.101
Mus musculus Mus musculus Activity 66.6 U/L 10.1016/j.ejmech.2014.09.078
Mus musculus Mus musculus Activity 97.5 mg/dl 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 105.3 mg/dl 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 128.3 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 131.3 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 143.3 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 166.0 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 175.3 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 216.0 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 237.4 U/L 10.1016/j.ejmech.2014.07.101
Mus musculus Mus musculus Activity 237.4 U/L 10.1016/j.ejmech.2014.09.078
Mus musculus Mus musculus Activity 755.7 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 1058.3 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 10611.3 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Activity 11134.0 U/L 10.1016/j.bmcl.2009.04.030
Mus musculus Mus musculus Inhibition 27.0 % 10.1021/jm00019a010
Mus musculus Mus musculus Inhibition 56.0 % 10.1021/jm00019a011
Mus musculus Mus musculus Inhibition 60.0 % 10.1021/jm00019a010
Mus musculus Mus musculus Inhibition 72.0 % 10.1021/jm00019a010
Mus musculus Mus musculus Inhibition 80.0 % 10.1021/jm00019a010
Mus musculus Mus musculus MTD 50.0 mg kg-1 10.1021/jm8006068
Mus musculus Mus musculus MTD 60.0 mg kg-1 10.1021/jm300810x
Mus musculus P388 Activity 30.0 % 10.1021/jm200784m
Mus musculus P388 TIME 312.0 hr 10.1021/jm200784m
Mus musculus Plasma AUC 39827.6 ng.hr.mL-1 10.1021/jm9004708
Mus musculus Plasma CL 0.04 L/hr 10.1021/jm9004708
Mus musculus Plasma Cmax 35000.0 nM 10.1021/jm9004708
Mus musculus Plasma T1/2 0.88 hr 10.1021/jm9004708
Mus musculus Plasma Vz 0.05 l 10.1021/jm9004708
Oryctolagus cuniculus Heat shock protein HSP 90-beta Inhibition 17.0 % 10.1021/ml500114p
Plasmodium falciparum Heat-shock protein IC50 20100.0 nM 10.1021/jm401801t
Plasmodium falciparum Plasmodium falciparum Potency 601.2 nM None
Plasmodium falciparum Plasmodium falciparum Potency 10691.0 nM None
Rattus norvegicus Peripheral myelin protein 22 Potency 72.1 nM None
Saccharomyces cerevisiae S288c Heat shock protein HSP 90 (HSC82) IC50 13400.0 nM 10.1021/jm050355z
Saccharomyces cerevisiae S288c Heat shock protein HSP 90 (HSP82) IC50 6600.0 nM 10.1016/j.bmcl.2005.05.046
Saccharomyces cerevisiae S288c Heat shock protein HSP 90 (HSP82) IC50 8700.0 nM 10.1016/j.bmcl.2005.05.046
Saccharomyces cerevisiae S288c Heat shock protein HSP 90 (HSP82) Inhibition 80.0 % 10.1016/j.bmcl.2005.05.046
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 1.915 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 10.33 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.25 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.22 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 27.67 % 10.21203/rs.3.rs-23951/v1
None ADMET Activity nan None 10.1016/j.bmcl.2020.127282
None ADMET Activity nan None 10.1016/j.bmcl.2021.128338
None ADMET AUC 46856.0 ng.hr.mL-1 10.1021/jm9004708
None ADMET CL 0.03 L/hr 10.1021/jm9004708
None ADMET Cmax_tumor 15.0 uM 10.1021/jm9004708
None ADMET FC 2.0 None 10.1021/ml500114p
None ADMET IC50 99.0 nM 10.1016/j.ejmech.2014.09.078
None ADMET IC50 53300.0 nM 10.1021/jm060836y
None ADMET MTD 75.0 mg kg-1 10.1021/acs.jmedchem.5b01106
None ADMET Ratio 0.5 None 10.1021/jm9004708
None ADMET Ratio 10.0 None 10.1021/jm9004708
None ADMET T1/2 7.5 hr 10.1021/jm9004708
None ADMET TI 1.3 None 10.1016/j.ejmech.2021.113428
None ADMET Vz 0.34 l 10.1021/jm9004708
None Molecular identity unknown Activity 66.0 % 10.1016/j.bmcl.2006.12.041
None NON-PROTEIN TARGET GI 11.4 % 10.1021/jm901566c
None NON-PROTEIN TARGET GI 18.0 % 10.1021/jm901566c
None NON-PROTEIN TARGET GI 51.72 % 10.1021/jm901566c
None NON-PROTEIN TARGET GI 65.97 % 10.1021/jm901566c
None NON-PROTEIN TARGET GI 73.16 % 10.1021/jm901566c
None NON-PROTEIN TARGET GI 76.35 % 10.1021/jm901566c
None NON-PROTEIN TARGET GI 77.78 % 10.1021/jm901566c
None NON-PROTEIN TARGET GI 98.0 % 10.1021/jm901566c
None NON-PROTEIN TARGET GI 99.0 % 10.1021/jm901566c
None NON-PROTEIN TARGET GI50 7.0 nM 10.1016/j.bmcl.2008.01.072
None NON-PROTEIN TARGET GI50 56.0 nM 10.1016/j.bmcl.2009.04.030
None NON-PROTEIN TARGET IC50 5.77 ug.mL-1 10.1016/j.ejmech.2013.05.019
None NON-PROTEIN TARGET IC50 7.27 ug.mL-1 10.1016/j.ejmech.2013.05.019
None NON-PROTEIN TARGET IC50 7.7 nM 10.1021/jm901566c
None NON-PROTEIN TARGET IC50 31.8 nM 10.1021/jm901566c
None NON-PROTEIN TARGET IC50 192.0 nM 10.1016/j.bmc.2016.12.050
None NON-PROTEIN TARGET IC50 200.0 nM 10.1016/j.ejmech.2016.05.033
None NON-PROTEIN TARGET IC50 282.0 nM 10.1016/j.bmc.2016.12.050
None NON-PROTEIN TARGET IC50 286.0 nM 10.1016/j.bmc.2016.12.050
None NON-PROTEIN TARGET IC50 520.0 nM 10.1016/j.ejmech.2016.05.033
None NON-PROTEIN TARGET IC50 847.0 nM 10.1016/j.ejmech.2014.09.078
None NON-PROTEIN TARGET IC50 1100.0 nM 10.1021/np400084t
None NON-PROTEIN TARGET IC50 1500.0 nM 10.1021/jm900012a
None NON-PROTEIN TARGET Inhibition 65.49 % 10.1016/j.bmcl.2016.11.062
None NON-PROTEIN TARGET Inhibition 74.44 % 10.1016/j.bmcl.2016.11.062
None NON-PROTEIN TARGET Inhibition 79.74 % 10.1016/j.bmcl.2016.11.062
None NON-PROTEIN TARGET Inhibition 88.89 % 10.1016/j.bmcl.2016.11.062
None NON-PROTEIN TARGET TGI nan None 10.1021/jm300810x
None No relevant target Solubility 20.0 ug.mL-1 10.1021/jm9004708
None No relevant target Solubility 50.0 ug.mL-1 10.1016/j.bmc.2008.10.087
None No relevant target Solubility 63000.0 nM 10.1016/j.bmcl.2020.127282
None No relevant target T1/2 9.8 hr 10.1021/jm9004708
None Unchecked Activity 12.0 % 10.1021/jm060836y
None Unchecked CC50 19540.0 nM 10.1016/j.ejmech.2020.112988
None Unchecked CC50 21460.0 nM 10.1016/j.ejmech.2020.112988
None Unchecked EC50 nan None 10.1016/j.bmcl.2008.01.072
None Unchecked IC50 1000.0 nM 10.1021/acs.jmedchem.5b01106
None Unchecked IC50 1095.0 nM 10.1016/j.ejmech.2012.03.036
None Unchecked IC50 1200.0 nM 10.1016/j.ejmech.2020.112624
None Unchecked IC50 1300.0 nM 10.1016/j.ejmech.2010.01.016
None Unchecked IC50 500000.0 nM 10.1016/s0960-894x(01)00099-3
None Unchecked Inhibition 47.0 % 10.1016/j.bmcl.2012.03.012
None Unchecked Inhibition 80.0 % 10.1016/j.bmcl.2012.03.012
None Unchecked Inhibition nan % 10.1016/j.bmc.2014.11.021
None Unchecked Inhibition nan % 10.1038/nchembio790
None Unchecked Kd 0.087 nM 10.1021/jm900230j
None Unchecked Kd 2480.0 nM 10.1016/j.ejmech.2020.112624
None Unchecked MEC 0.03 uM 10.1016/j.bmcl.2008.01.072
None Unchecked Potency 2818.4 nM None
None Unchecked Potency 3548.1 nM None
None Unchecked Potency 3981.1 nM None
None Unchecked Potency 5623.4 nM None
None Unchecked Potency 8912.5 nM None
None Unchecked Potency 16136.6 nM None
None Unchecked Ratio IC50 29.0 None 10.1016/j.ejmech.2020.112624
None Unchecked Ratio IC50 49.0 None 10.1016/j.ejmech.2020.112624
None Unchecked Ratio IC50 50.0 None 10.1016/j.ejmech.2020.112624
None Unchecked Ratio IC50 51.0 None 10.1016/j.ejmech.2020.112624
None Unchecked Ratio IC50 52.0 None 10.1016/j.ejmech.2020.112624

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001838 C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O>>C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)N2 enzymemap_24047