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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK323584

Synonym: None

IUPAC Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

Structure

SMILES: CCC[C@H](N=C(O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N=C(O)[C@@H](N=C(O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1

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InChI: InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1

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InChIKey: BBAWEDCPNXPBQM-GDEBMMAJSA-N

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Reference

PubChem CID: 3010818

CAS: 402957-28-2

NPASS: NPC483795

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 679.8629999999999

TPSA？: 190.03

MolLogP？: 4.701300000000003

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii MIC 20000.0 nM 10.6019/CHEMBL4513161
Candida albicans Candida albicans MIC 20000.0 nM 10.6019/CHEMBL4513161
Chlorocebus sabaeus Vero CC50 nan None 10.1016/j.bmcl.2013.09.068
Chlorocebus sabaeus Vero CC50 nan None 10.1016/j.ejmech.2013.07.053
Coxsackievirus B3 Coxsackievirus B3 IC50 nan None 10.1016/j.ejmech.2013.07.053
Coxsackievirus B6 Coxsackievirus B6 IC50 nan None 10.1016/j.ejmech.2013.07.053
Cryptococcus neoformans Cryptococcus neoformans MIC 20000.0 nM 10.6019/CHEMBL4513161
Escherichia coli Escherichia coli MIC 20000.0 nM 10.6019/CHEMBL4513161
Hepacivirus C NS3 protease IC50 130.0 nM 10.1128/aac.00863-07
Hepacivirus C NS3 protease IC50 270.0 nM 10.1128/aac.00863-07
Hepacivirus C NS3 protease IC50 490.0 nM 10.1074/jbc.m610207200
Hepacivirus C NS3 protease IC50 510.0 nM 10.1074/jbc.m610207200
Hepacivirus C NS3 protease IC50 880.0 nM 10.1074/jbc.m610207200
Hepacivirus C NS3 protease IC50 1150.0 nM 10.1074/jbc.m610207200
Hepacivirus C NS3 protease IC50 3400.0 nM 10.1128/aac.00863-07
Hepacivirus C NS3 protease Ki 3.9 nM 10.1021/jm301887f
Hepacivirus C NS3 protease Km 68000.0 nM 10.1074/jbc.m610207200
Hepacivirus C NS3 protease Km 168000.0 nM 10.1074/jbc.m610207200
Hepacivirus C NS3 protease Km 552000.0 nM 10.1074/jbc.m610207200
Hepacivirus C NS3 protease Vmax 0.047 microM/microg/sec 10.1074/jbc.m610207200
Hepacivirus C NS3 protease Vmax 0.079 microM/microg/sec 10.1074/jbc.m610207200
Hepacivirus C NS3 protease Vmax 0.08 microM/microg/sec 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus Activity 3.0 None 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus Activity 4.0 log10IU/ml 10.1128/aac.01317-07
Hepacivirus hominis Hepatitis C virus Activity 4.65 None 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus Activity 10.0 % 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus Activity 18.0 % 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus Activity 19.0 % 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus Activity 40.0 % 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus Activity 41.0 % 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus Activity 45.0 % 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus Activity 75.0 % 10.1021/jm401398x
Hepacivirus hominis Hepatitis C virus Activity 80.0 % 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus Activity 93.0 None 10.1128/aac.01317-07
Hepacivirus hominis Hepatitis C virus Activity 100.0 % 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus Activity nan None 10.1021/acs.jmedchem.0c00232
Hepacivirus hominis Hepatitis C virus Activity nan None 10.1021/acs.jmedchem.6b01301
Hepacivirus hominis Hepatitis C virus EC50 7.8 nM 10.1021/acs.jmedchem.0c00232
Hepacivirus hominis Hepatitis C virus EC50 20.0 nM 10.1021/acs.jmedchem.6b01301
Hepacivirus hominis Hepatitis C virus EC50 22.0 nM 10.1016/j.ejmech.2021.114033
Hepacivirus hominis Hepatitis C virus EC50 30.0 nM 10.1016/j.ejmech.2017.12.002
Hepacivirus hominis Hepatitis C virus EC50 34.0 nM 10.1016/j.bmcl.2012.10.075
Hepacivirus hominis Hepatitis C virus EC50 34.0 nM 10.1021/jm201278q
Hepacivirus hominis Hepatitis C virus EC50 46.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 50.0 nM 10.1016/j.bmc.2018.12.038
Hepacivirus hominis Hepatitis C virus EC50 50.0 nM 10.1021/acs.jnatprod.9b00259
Hepacivirus hominis Hepatitis C virus EC50 58.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 60.0 nM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC50 66.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 72.0 nM 10.1128/aac.00777-10
Hepacivirus hominis Hepatitis C virus EC50 80.0 nM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC50 90.0 nM 10.1128/aac.00939-08
Hepacivirus hominis Hepatitis C virus EC50 102.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 113.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 129.0 nM 10.1021/acs.jnatprod.5b00543
Hepacivirus hominis Hepatitis C virus EC50 146.0 nM 10.1021/acs.jmedchem.0c00232
Hepacivirus hominis Hepatitis C virus EC50 147.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 150.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 176.2 nM 10.1128/aac.00777-10
Hepacivirus hominis Hepatitis C virus EC50 181.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 187.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 200.0 nM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC50 202.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 207.0 nM 10.1016/j.bmcl.2012.10.075
Hepacivirus hominis Hepatitis C virus EC50 207.0 nM 10.1021/jm201278q
Hepacivirus hominis Hepatitis C virus EC50 210.0 nM 10.1021/jm1013693
Hepacivirus hominis Hepatitis C virus EC50 216.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 235.0 nM 10.1039/C1MD00227A
Hepacivirus hominis Hepatitis C virus EC50 300.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 310.0 nM 10.1016/j.bmc.2007.12.041
Hepacivirus hominis Hepatitis C virus EC50 320.0 nM 10.1128/aac.01149-07
Hepacivirus hominis Hepatitis C virus EC50 350.0 nM 10.1016/j.bmc.2010.05.027
Hepacivirus hominis Hepatitis C virus EC50 350.0 nM 10.1021/acs.jmedchem.5b00825
Hepacivirus hominis Hepatitis C virus EC50 350.0 nM 10.1021/ml400217r
Hepacivirus hominis Hepatitis C virus EC50 354.0 nM 10.1016/j.bmcl.2009.02.079
Hepacivirus hominis Hepatitis C virus EC50 360.0 nM 10.1016/j.bmcl.2015.09.060
Hepacivirus hominis Hepatitis C virus EC50 372.0 nM 10.1016/j.bmcl.2012.10.075
Hepacivirus hominis Hepatitis C virus EC50 372.0 nM 10.1021/jm201278q
Hepacivirus hominis Hepatitis C virus EC50 376.7 nM 10.1128/aac.00777-10
Hepacivirus hominis Hepatitis C virus EC50 390.0 nM 10.1128/aac.00677-09
Hepacivirus hominis Hepatitis C virus EC50 400.0 nM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC50 450.0 nM 10.1021/ml400432f
Hepacivirus hominis Hepatitis C virus EC50 490.0 nM 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus EC50 500.0 nM 10.1128/aac.01598-08
Hepacivirus hominis Hepatitis C virus EC50 510.0 nM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC50 540.0 nM 10.1016/j.bmcl.2012.10.075
Hepacivirus hominis Hepatitis C virus EC50 540.0 nM 10.1021/jm201278q
Hepacivirus hominis Hepatitis C virus EC50 540.0 nM 10.1128/aac.00787-10
Hepacivirus hominis Hepatitis C virus EC50 560.0 nM 10.1128/aac.01317-07
Hepacivirus hominis Hepatitis C virus EC50 560.0 nM 10.1128/aac.01598-08
Hepacivirus hominis Hepatitis C virus EC50 570.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 580.0 nM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC50 580.0 nM 10.1128/aac.00939-08
Hepacivirus hominis Hepatitis C virus EC50 600.0 nM 10.1128/aac.01534-07
Hepacivirus hominis Hepatitis C virus EC50 620.0 nM 10.1021/acs.jmedchem.6b01301
Hepacivirus hominis Hepatitis C virus EC50 638.0 nM 10.1016/j.bmcl.2012.10.075
Hepacivirus hominis Hepatitis C virus EC50 638.0 nM 10.1021/jm201278q
Hepacivirus hominis Hepatitis C virus EC50 700.0 nM 10.1128/aac.00787-10
Hepacivirus hominis Hepatitis C virus EC50 720.0 nM 10.1039/C1MD00227A
Hepacivirus hominis Hepatitis C virus EC50 749.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 790.0 nM 10.1128/aac.00939-08
Hepacivirus hominis Hepatitis C virus EC50 800.0 nM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC50 800.0 nM 10.1016/j.ejmech.2016.07.035
Hepacivirus hominis Hepatitis C virus EC50 800.0 nM 10.1016/j.ejmech.2016.10.043
Hepacivirus hominis Hepatitis C virus EC50 883.0 nM 10.1016/j.bmcl.2012.10.075
Hepacivirus hominis Hepatitis C virus EC50 883.0 nM 10.1021/jm201278q
Hepacivirus hominis Hepatitis C virus EC50 886.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 1000.0 nM 10.1128/aac.01534-07
Hepacivirus hominis Hepatitis C virus EC50 1020.0 nM 10.1128/aac.00939-08
Hepacivirus hominis Hepatitis C virus EC50 1100.0 nM 10.1128/aac.00677-09
Hepacivirus hominis Hepatitis C virus EC50 1100.0 nM 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus EC50 1136.0 nM 10.1016/j.bmcl.2012.10.075
Hepacivirus hominis Hepatitis C virus EC50 1136.0 nM 10.1021/jm201278q
Hepacivirus hominis Hepatitis C virus EC50 1213.0 nM 10.1021/acs.jmedchem.0c00232
Hepacivirus hominis Hepatitis C virus EC50 1246.0 nM 10.1128/aac.00289-10
Hepacivirus hominis Hepatitis C virus EC50 1470.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 1565.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 1600.0 nM 10.1016/j.bmcl.2009.02.079
Hepacivirus hominis Hepatitis C virus EC50 1694.0 nM 10.1128/aac.00289-10
Hepacivirus hominis Hepatitis C virus EC50 1778.0 nM 10.1016/j.bmcl.2012.10.075
Hepacivirus hominis Hepatitis C virus EC50 1778.0 nM 10.1021/jm201278q
Hepacivirus hominis Hepatitis C virus EC50 1965.0 nM 10.1016/j.bmcl.2012.10.075
Hepacivirus hominis Hepatitis C virus EC50 1965.0 nM 10.1021/jm201278q
Hepacivirus hominis Hepatitis C virus EC50 2200.0 nM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC50 2800.0 nM 10.1016/j.ejmech.2015.01.033
Hepacivirus hominis Hepatitis C virus EC50 2957.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 3000.0 nM 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus EC50 3107.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 3400.0 nM 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus EC50 3600.0 nM 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus EC50 4106.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 5400.0 nM 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus EC50 8600.0 nM 10.1128/aac.00677-09
Hepacivirus hominis Hepatitis C virus EC50 9400.0 nM 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus EC50 9631.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 13970.0 nM 10.1128/aac.00939-08
Hepacivirus hominis Hepatitis C virus EC50 15470.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 20000.0 nM 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus EC50 20326.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 22663.0 nM 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC50 30000.0 nM 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus EC50 46000.0 nM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC50 nan None 10.1128/aac.00787-10
Hepacivirus hominis Hepatitis C virus EC50 nan None 10.1128/aac.00939-08
Hepacivirus hominis Hepatitis C virus EC50 nan None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus EC90 0.69 uM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC90 0.74 uM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC90 0.78 uM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC90 0.9 uM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC90 1.5 uM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC90 5.1 uM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC90 8.3 uM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC90 52.0 uM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC90 100.0 uM 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus EC90 838.0 nM 10.1039/C1MD00227A
Hepacivirus hominis Hepatitis C virus FC 2.2 None 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus FC 3.6 None 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus FC 4.0 None 10.1128/aac.00939-08
Hepacivirus hominis Hepatitis C virus FC 4.1 None 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus FC 5.5 None 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus FC 6.3 None 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus FC 7.0 None 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus FC 7.4 None 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus FC 7.4 None 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus FC 11.2 None 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus FC 19.8 None 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus FC 20.1 None 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus FC 24.0 None 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus FC 40.0 None 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus FC 62.0 None 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus IC50 63.0 nM 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus IC50 100.0 nM 10.1016/j.bmcl.2010.04.129
Hepacivirus hominis Hepatitis C virus IC50 140.0 nM 10.1016/j.ejmech.2013.07.053
Hepacivirus hominis Hepatitis C virus IC50 230.0 nM 10.1128/aac.00863-07
Hepacivirus hominis Hepatitis C virus IC50 350.0 nM 10.1016/j.bmcl.2007.03.090
Hepacivirus hominis Hepatitis C virus IC50 354.0 nM 10.1021/jm1012374
Hepacivirus hominis Hepatitis C virus IC50 490.0 nM 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus IC50 2000.0 nM 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus IC50 2700.0 nM 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus IC50 3600.0 nM 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus IC50 9600.0 nM 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus IC50 11700.0 nM 10.1074/jbc.m610207200
Hepacivirus hominis Hepatitis C virus IC99 3300.0 nM 10.1021/jm901023f
Hepacivirus hominis Hepatitis C virus Inhibition 96.5 % 10.1128/aac.00939-08
Hepacivirus hominis Hepatitis C virus Inhibition nan % 10.1016/j.ejmech.2017.12.002
Hepacivirus hominis Hepatitis C virus Inhibition nan % 10.1128/aac.00939-08
Hepacivirus hominis Hepatitis C virus Ki 4.4 nM 10.1128/aac.00787-10
Hepacivirus hominis Hepatitis C virus Ki 44.0 nM 10.1016/j.bmcl.2010.04.129
Hepacivirus hominis Hepatitis C virus Ki 93.0 nM 10.1128/aac.00677-09
Hepacivirus hominis Hepatitis C virus Ratio 0.9 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio 1.9 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio 6.5 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio 11.0 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio 66.0 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio 130.0 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio EC50 0.1 None 10.1128/aac.01149-07
Hepacivirus hominis Hepatitis C virus Ratio EC50 0.2 None 10.1128/aac.01149-07
Hepacivirus hominis Hepatitis C virus Ratio EC50 0.4 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 0.5 None 10.1128/aac.00777-10
Hepacivirus hominis Hepatitis C virus Ratio EC50 0.5 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 0.6 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 0.7 None 10.1128/aac.01149-07
Hepacivirus hominis Hepatitis C virus Ratio EC50 0.7 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 0.8 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 1.0 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio EC50 1.0 None 10.1128/aac.00777-10
Hepacivirus hominis Hepatitis C virus Ratio EC50 1.0 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 1.2 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 1.3 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio EC50 1.3 None 10.1128/aac.01149-07
Hepacivirus hominis Hepatitis C virus Ratio EC50 2.3 None 10.1128/aac.00777-10
Hepacivirus hominis Hepatitis C virus Ratio EC50 2.5 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 3.1 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 3.3 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio EC50 3.3 None 10.1128/aac.01149-07
Hepacivirus hominis Hepatitis C virus Ratio EC50 4.6 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 5.4 None 10.1128/aac.01149-07
Hepacivirus hominis Hepatitis C virus Ratio EC50 5.6 None 10.1128/aac.00777-10
Hepacivirus hominis Hepatitis C virus Ratio EC50 6.0 None 10.1021/jm201278q
Hepacivirus hominis Hepatitis C virus Ratio EC50 6.1 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 6.2 None 10.1128/aac.00777-10
Hepacivirus hominis Hepatitis C virus Ratio EC50 6.7 None 10.1128/aac.01149-07
Hepacivirus hominis Hepatitis C virus Ratio EC50 7.5 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 8.5 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio EC50 10.0 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 13.0 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio EC50 14.0 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 19.0 None 10.1128/aac.01149-07
Hepacivirus hominis Hepatitis C virus Ratio EC50 20.0 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 28.0 None 10.1128/aac.01149-07
Hepacivirus hominis Hepatitis C virus Ratio EC50 37.0 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio EC50 63.1 None 10.1128/aac.01149-07
Hepacivirus hominis Hepatitis C virus Ratio EC50 74.0 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 96.3 None 10.1128/aac.01149-07
Hepacivirus hominis Hepatitis C virus Ratio EC50 105.0 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 112.0 None 10.1128/aac.01452-09
Hepacivirus hominis Hepatitis C virus Ratio EC50 780.0 None 10.1016/j.bmcl.2013.09.068
Hepacivirus hominis Hepatitis C virus Ratio EC50 nan None 10.1128/aac.01452-09
Hepatitis C virus Hepatitis C virus serine protease, NS3/NS4A Inhibition nan % 10.1016/j.bmcl.2014.08.002
Hepatitis C virus subtype 1b NS3 protease Ki 82.0 nM 10.1021/jm301887f
Hepatitis C virus subtype 1b NS3 protease Ki 6100.0 nM 10.1021/jm301887f
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-3 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Caco-2 permeability 4.1 10'6cm/s 10.1128/aac.00787-10
Homo sapiens Caco-2 permeability 23.0 10'6cm/s 10.1128/aac.00787-10
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cathepsin B IC50 210.0 nM 10.1021/jm1013693
Homo sapiens Cathepsin B IC50 2300.0 nM 10.1128/aac.00787-10
Homo sapiens Cathepsin B IC50 4400.0 nM 10.1128/aac.00677-09
Homo sapiens Cathepsin F IC50 10000.0 nM 10.1128/aac.00677-09
Homo sapiens Cathepsin K IC50 630.0 nM 10.1128/aac.00677-09
Homo sapiens Cathepsin L IC50 3500.0 nM 10.1128/aac.00677-09
Homo sapiens Cathepsin L2 IC50 1350.0 nM 10.1128/aac.00677-09
Homo sapiens Cathepsin S IC50 300.0 nM 10.1128/aac.00677-09
Homo sapiens Cathepsin S IC50 100000.0 nM 10.1016/j.bmcl.2013.09.068
Homo sapiens Cathepsin S IC90 100000.0 nM 10.1016/j.bmcl.2013.09.068
Homo sapiens CCRF-CEM CC50 nan None 10.1016/j.bmcl.2013.09.068
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chymase IC50 26.0 nM 10.1128/aac.00677-09
Homo sapiens Cyclooxygenase-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 Activity 36.0 % 10.1021/acs.jmedchem.0c02245
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Elastase 1 IC50 30.0 nM 10.1128/aac.00677-09
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HEK293 CC50 20000.0 nM 10.6019/CHEMBL4513161
Homo sapiens Hepatocyte CC50 90000.0 nM 10.1016/j.bmcl.2009.03.069
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -8.83 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 0.49 % 10.6019/CHEMBL4808148
Homo sapiens Huh-5-2 CC50 47000.0 nM 10.1016/j.ejmech.2016.10.043
Homo sapiens Huh-7 CC50 10000.0 nM 10.1016/j.bmcl.2013.09.068
Homo sapiens Huh-7 CC50 20000.0 nM 10.1021/ml400432f
Homo sapiens Huh-7 CC50 37000.0 nM 10.1128/aac.00787-10
Homo sapiens Huh-7.5 CC50 23700.0 nM 10.1016/j.ejmech.2021.114033
Homo sapiens Kappa opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Leukocyte elastase IC50 680.0 nM 10.1128/aac.00787-10
Homo sapiens Leukocyte elastase IC50 8000.0 nM 10.1016/j.bmcl.2013.09.068
Homo sapiens Leukocyte elastase IC50 8000.0 nM 10.1128/aac.00677-09
Homo sapiens Leukocyte elastase IC90 100000.0 nM 10.1016/j.bmcl.2013.09.068
Homo sapiens Liver microsomes QH 64.0 % 10.1128/aac.00787-10
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens PBMC CC50 nan None 10.1016/j.bmcl.2013.09.068
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Plasminogen IC50 8700.0 nM 10.1016/j.bmcl.2013.09.068
Homo sapiens Plasminogen IC90 110000.0 nM 10.1016/j.bmcl.2013.09.068
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thrombin IC50 1000.0 nM 10.1016/j.bmcl.2013.09.068
Homo sapiens Thrombin IC90 1000.0 nM 10.1016/j.bmcl.2013.09.068
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Trypsin I IC50 10000.0 nM 10.1128/aac.00677-09
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Klebsiella pneumoniae Klebsiella pneumoniae MIC 20000.0 nM 10.6019/CHEMBL4513161
Murine hepatitis virus Murine hepatitis virus Activity nan None 10.1039/D0MD00367K
Mus musculus Liver Activity 2.4 uM 10.1016/j.bmcl.2007.03.090
Mus musculus Mus musculus AUC 3.0 uM 10.1016/j.bmcl.2007.03.090
Mus musculus Mus musculus AUC 19.0 uM 10.1016/j.bmcl.2007.03.090
Mus musculus Plasma Cp 0.37 uM 10.1016/j.bmcl.2007.03.090
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 20000.0 nM 10.6019/CHEMBL4513161
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Liver Drug uptake 0.81 uM 10.1016/j.bmcl.2009.02.079
Rattus norvegicus Liver microsomes QH 41.0 % 10.1128/aac.00787-10
Rattus norvegicus Plasma Activity 35.0 % 10.1021/jm901023f
Rattus norvegicus Plasma T1/2 0.3333 hr 10.1021/jm901023f
Rattus norvegicus Rattus norvegicus AUC 1046.98 ng.hr.mL-1 10.1016/j.bmcl.2009.02.079
Rattus norvegicus Rattus norvegicus Cmax 630.0 nM 10.1016/j.bmcl.2009.02.079
Rattus norvegicus Rattus norvegicus F 34.8 % 10.1016/j.bmcl.2009.02.079
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab IC50 10000.0 nM 10.1016/j.bmcl.2021.128263
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab IC50 10700.0 nM 10.1039/D1MD00066G
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab IC50 11470.0 nM 10.1016/j.bmcl.2021.128263
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -59.3 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -19.41 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 18.85 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 88.8 % 10.1016/j.bmcl.2022.128732
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1221 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.2 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.1 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.04 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 34.84 % 10.21203/rs.3.rs-23951/v1
Staphylococcus aureus Staphylococcus aureus MIC 20000.0 nM 10.6019/CHEMBL4513161
None ADMET CC50 20000.0 nM 10.1016/j.bmcl.2015.09.060
None ADMET CC50 24000.0 nM 10.1128/aac.01534-07
None ADMET CC50 25000.0 nM 10.1128/aac.01534-07
None ADMET CC50 26700.0 nM 10.1128/aac.01317-07
None ADMET CC50 33000.0 nM 10.1128/aac.01534-07
None ADMET CC50 37460.0 nM 10.1016/j.ejmech.2013.07.053
None ADMET CC50 47000.0 nM 10.1016/j.ejmech.2015.01.033
None ADMET CC50 47830.0 nM 10.1021/acs.jnatprod.5b00543
None ADMET CC50 50000.0 nM 10.1016/j.bmcl.2009.02.079
None ADMET CC50 74000.0 nM 10.1039/C1MD00227A
None ADMET CC50 82000.0 nM 10.1016/j.bmcl.2007.03.090
None ADMET EC50 50000.0 nM 10.1128/aac.00677-09
None ADMET permeability 4.4 10^-6 cm/s 10.1021/acs.jmedchem.1c01687
None ADMET QH nan None 10.1128/aac.00787-10
None ADMET Ratio CC50/EC50 370.8 None 10.1021/acs.jnatprod.5b00543
None ADMET Ratio CC50/EC50 1078.0 None 10.1016/j.ejmech.2021.114033
None ADMET Ratio CC50/IC50 1200.0 None 10.1016/j.bmcl.2009.03.069
None Erythrocyte HC10 20.0 uM 10.6019/CHEMBL4513161
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None NON-PROTEIN TARGET CC50 47000.0 nM 10.1016/j.ejmech.2016.07.035
None No relevant target Solubility 4.7 ug.mL-1 10.1021/acs.jmedchem.1c01687
None No relevant target Solubility 4.7 ug.mL-1 10.1021/acs.jmedchem.8b00180
None No relevant target Stability 0.0 % 10.1021/jm901023f
None No relevant target Stability 0.5 % 10.1021/jm901023f
None No relevant target Stability 0.7 % 10.1021/jm901023f
None No relevant target Stability 0.9 % 10.1021/jm901023f
None No relevant target Stability 1.1 % 10.1021/jm901023f
None No relevant target Stability 2.1 % 10.1021/jm901023f
None No relevant target Stability 2.4 % 10.1021/jm901023f
None No relevant target Stability 2.7 % 10.1021/jm901023f
None No relevant target Stability 2.9 % 10.1021/jm901023f
None No relevant target Stability 3.0 % 10.1021/jm901023f
None No relevant target Stability 3.2 % 10.1021/jm901023f
None No relevant target Stability 3.3 % 10.1021/jm901023f
None No relevant target Stability 3.4 % 10.1021/jm901023f
None No relevant target Stability 4.0 % 10.1021/jm901023f
None No relevant target Stability 4.1 % 10.1021/jm901023f
None No relevant target Stability 4.8 % 10.1021/jm901023f
None No relevant target Stability 5.0 % 10.1021/jm901023f
None No relevant target Stability 5.4 % 10.1021/jm901023f
None No relevant target Stability 5.6 % 10.1021/jm901023f
None No relevant target Stability 6.2 % 10.1021/jm901023f
None No relevant target Stability 6.3 % 10.1021/jm901023f
None No relevant target Stability 6.6 % 10.1021/jm901023f
None No relevant target Stability 10.5 % 10.1021/jm901023f
None No relevant target Stability 15.0 % 10.1021/jm901023f
None No relevant target Stability 15.9 % 10.1021/jm901023f
None No relevant target Stability 16.7 % 10.1021/jm901023f
None No relevant target Stability 17.5 % 10.1021/jm901023f
None No relevant target Stability 20.2 % 10.1021/jm901023f
None No relevant target Stability 22.3 % 10.1021/jm901023f
None No relevant target Stability 25.2 % 10.1021/jm901023f
None No relevant target Stability 25.5 % 10.1021/jm901023f
None No relevant target Stability 29.4 % 10.1021/jm901023f
None No relevant target Stability 31.3 % 10.1021/jm901023f
None No relevant target Stability 32.0 % 10.1021/jm901023f
None No relevant target Stability 34.5 % 10.1021/jm901023f
None No relevant target Stability 34.9 % 10.1021/jm901023f
None No relevant target Stability 35.1 % 10.1021/jm901023f
None No relevant target Stability 36.1 % 10.1021/jm901023f
None No relevant target Stability 36.3 % 10.1021/jm901023f
None No relevant target Stability 37.2 % 10.1021/jm901023f
None No relevant target Stability 37.6 % 10.1021/jm901023f
None No relevant target T1/2 35.0 hr 10.1021/jm901023f
None Nucleic Acid Ratio 54.0 None 10.1016/j.bmcl.2007.03.090
None Unchecked CC50 25200.0 nM 10.1016/j.ejmech.2017.12.002
None Unchecked CC50 25800.0 nM 10.1021/acs.jnatprod.9b00259
None Unchecked CC50 26500.0 nM 10.1016/j.bmc.2018.12.038
None Unchecked CC50 44850.0 nM 10.1021/acs.jmedchem.6b01301
None Unchecked CC50 55024.0 nM 10.1021/acs.jmedchem.0c00232
None Unchecked EC50 8.0 nM 10.1021/acs.jmedchem.6b01301
None Unchecked FC 2.6 None 10.1128/aac.00863-07
None Unchecked FC 5.4 None 10.1128/aac.00863-07
None Unchecked FC 10.0 uM 10.1074/jbc.m610207200
None Unchecked FC 18.0 uM 10.1074/jbc.m610207200
None Unchecked FC 23.0 uM 10.1074/jbc.m610207200
None Unchecked FC 69.0 None 10.1128/aac.00863-07
None Unchecked IC50 50.0 nM 10.1074/jbc.m610207200
None Unchecked IC50 50.0 nM 10.1128/aac.00863-07
None Unchecked IC50 70.0 nM 10.1021/jm1013693
None Unchecked IC50 200.0 nM 10.1016/j.bmcl.2009.03.069
None Unchecked IC50 450.0 nM 10.1016/j.bmc.2015.07.032
None Unchecked IC50 500.0 nM 10.1016/j.bmcl.2012.10.075
None Unchecked IC50 500.0 nM 10.1021/jm201278q
None Unchecked IC50 600.0 nM 10.1016/j.bmcl.2014.08.002
None Unchecked IC50 1030.0 nM 10.1016/j.bmcl.2017.05.001
None Unchecked IC50 3000.0 nM 10.1128/aac.00677-09
None Unchecked IC50 55720.0 nM 10.1039/D0MD00367K
None Unchecked IC50 nan None 10.1016/j.ejmech.2016.10.043
None Unchecked IC90 450.0 nM 10.1016/j.bmcl.2009.03.069
None Unchecked Inhibition 85.0 % 10.1016/j.bmcl.2018.12.026
None Unchecked Inhibition 100.0 % 10.1039/D0MD00367K
None Unchecked Kd 8.5 nM 10.1021/jm401690f
None Unchecked Kd 8.6 nM 10.1021/jm401690f
None Unchecked Kd 17.0 nM 10.1021/jm401690f
None Unchecked Kd 66.0 nM 10.1021/jm401690f
None Unchecked Kd 67.0 nM 10.1021/jm401690f
None Unchecked Kd 340.0 nM 10.1021/jm401690f
None Unchecked Kd 1000.0 nM 10.1021/jm401690f
None Unchecked Kd 2000.0 nM 10.1021/jm401690f
None Unchecked Kd 3000.0 nM 10.1021/jm401690f
None Unchecked Kd 4100.0 nM 10.1021/jm401690f
None Unchecked Kd 14000.0 nM 10.1021/jm401690f
None Unchecked Kd 66000.0 nM 10.1021/jm401690f
None Unchecked Ki 3.2 nM 10.1128/aac.00787-10
None Unchecked Ki 4.5 nM 10.1128/aac.00787-10
None Unchecked Ki 7.0 nM 10.1021/acs.jmedchem.5b00825
None Unchecked Ki 7.0 nM 10.1021/jm1012374
None Unchecked Ki 15.0 nM 10.1021/jm301887f
None Unchecked Ki 15.0 nM 10.1128/aac.00787-10
None Unchecked Ki 39.0 nM 10.1016/j.bmc.2007.12.041
None Unchecked Ki 40.0 nM 10.1016/j.bmc.2010.05.027
None Unchecked Ki 40.0 nM 10.1016/j.bmcl.2007.03.090
None Unchecked Ki 40.0 nM 10.1021/ml400217r
None Unchecked Ki 42.0 nM 10.1128/aac.00677-09
None Unchecked Ki 50.0 nM 10.1128/aac.00787-10
None Unchecked Ki 54.0 nM 10.1128/aac.00677-09
None Unchecked Ki 73.0 nM 10.1128/aac.00787-10
None Unchecked Ki 110.0 nM 10.1016/j.bmcl.2009.02.079
None Unchecked Ki 110.0 nM 10.1128/aac.00787-10
None Unchecked Ki 130.0 nM 10.1128/aac.00677-09
None Unchecked Ki 160.0 nM 10.1128/aac.00787-10
None Unchecked Km 53000.0 nM 10.1074/jbc.m610207200
None Unchecked MNTD 72.5 uM 10.1039/D0MD00367K
None Unchecked Ratio CC50/EC50 44.4 None 10.1021/ml400432f
None Unchecked Ratio CC50/EC50 58.8 None 10.1016/j.ejmech.2016.07.035
None Unchecked Ratio CC50/EC50 58.8 None 10.1016/j.ejmech.2016.10.043
None Unchecked Ratio CC50/EC50 315.0 None 10.1039/C1MD00227A
None Unchecked Ratio CC50/EC50 377.0 None 10.1021/acs.jmedchem.0c00232
None Unchecked Ratio CC50/EC50 478.0 None 10.1021/acs.jnatprod.9b00259
None Unchecked Ratio CC50/EC50 491.0 None 10.1016/j.bmc.2018.12.038
None Unchecked Ratio CC50/EC50 840.0 None 10.1016/j.ejmech.2017.12.002
None Unchecked Ratio CC50/EC50 5704.0 None 10.1021/acs.jmedchem.6b01301
None Unchecked Ratio CC50/IC50 267.6 None 10.1016/j.ejmech.2013.07.053
None Unchecked Ratio CC50/IC50 nan None 10.1016/j.ejmech.2013.07.053
None Unchecked Ratio EC50 31.0 None 10.1021/acs.jmedchem.6b01301
None Unchecked Selectivity index 230.0 None 10.1016/j.bmcl.2007.03.090
None Unchecked Vmax 0.067 microM/microg/sec 10.1074/jbc.m610207200

Metabolism Information