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name Structure Reference Source Properties Activities Metabolism

Histamine; 3H-form 

AlkaPlorer ID: AK014869

Synonym: None

IUPAC Name: 2-(1H-imidazol-5-yl)ethylazanium

Structure

SMILES: [NH3+]CCC1=CN=CN1

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InChI: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1

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InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-O

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Daucus carota Daucus Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hordeum vulgare Hordeum Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Urtica dioica Urtica Urticaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Grindelia havardii Grindelia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Avena sativa Avena Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Amelanchier alnifolia Amelanchier Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Capsicum annuum Capsicum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Scolopendra subspinipes Scolopendra Scolopendridae Scolopendromorpha Chilopoda Arthropoda Metazoa Eukaryota
Brassica rapa Brassica Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Astragalus oxyphysus Astragalus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Polyscias scutellaria Polyscias Araliaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Saccharina japonica Saccharina Laminariaceae Laminariales Phaeophyceae None None Eukaryota
Cuscuta reflexa Cuscuta Convolvulaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Scolopendra mutilans Scolopendra Scolopendridae Scolopendromorpha Chilopoda Arthropoda Metazoa Eukaryota
Plantago depressa Plantago Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Prunus tomentosa Prunus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Claviceps purpurea Claviceps Clavicipitaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota
Rubus idaeus Rubus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cyprinus carpio Cyprinus Cyprinidae Cypriniformes Actinopteri Chordata Metazoa Eukaryota
Beta vulgaris Beta Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota
Cucurbita maxima Cucurbita Cucurbitaceae Cucurbitales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Euonymus grandiflorus Euonymus Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum sycophanta Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Centaurea glastifolia Centaurea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Gossypium herbaceum Gossypium Malvaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Trifolium repens Trifolium Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phaseolus vulgaris Phaseolus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nephelium maingayi Nephelium Sapindaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pastinaca sativa Pastinaca Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Galanthus nivalis Galanthus Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hydrodictyon reticulatum Hydrodictyon Hydrodictyaceae Sphaeropleales Chlorophyceae Chlorophyta Viridiplantae Eukaryota
Cucurbita pepo Cucurbita Cucurbitaceae Cucurbitales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Prunus dulcis Prunus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Apis cerana Apis Apidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota
Spinacia oleracea Spinacia Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum tuberosum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mus musculus Mus Muridae Rodentia Mammalia Chordata Metazoa Eukaryota
Solanum melongena Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dichrostachys cinerea Dichrostachys Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cucumis sativus Cucumis Cucurbitaceae Cucurbitales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pemphigus spyrothecae Pemphigus Aphididae Hemiptera Insecta Arthropoda Metazoa Eukaryota
Phytolacca acinosa Phytolacca Phytolaccaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Anethum graveolens Anethum Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Anguilla japonica Anguilla Anguillidae Anguilliformes Actinopteri Chordata Metazoa Eukaryota
Allium cepa Allium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Senecio candollei Senecio Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Brassica oleracea Brassica Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lactuca sativa Lactuca Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Secale cereale Secale Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Chelidonium majus Chelidonium Papaveraceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hypericum chinense Hypericum Hypericaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pyrus pyraster Pyrus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 112.156

TPSA？: 56.32

MolLogP？: -0.8058999999999998

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 10000.0 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 15848.9 nM None
Bos taurus Carbonic anhydrase IV Ka 41.0 uM 10.1016/s0960-894x(99)00310-8
Bos taurus Carbonic anhydrase IV KA 41.0 uM 10.1016/s0960-894x(02)00121-x
Bos taurus Carbonic anhydrase IV KA 41.0 uM 10.1021/jm010958k
Bos taurus Carbonic anhydrase IV KA 41.0 uM 10.1021/jm011031n
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) Carbonic anhydrase KA 18.4 uM 10.1016/j.bmc.2009.12.058
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) Carbonic anhydrase Kcat 8.0 10'5/s 10.1016/j.bmc.2009.12.058
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) Carbonic anhydrase Kcat 20.1 10'5/s 10.1016/j.bmc.2009.12.058
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) Carbonic anhydrase Km 8200000.0 nM 10.1016/j.bmc.2009.12.058
Candida glabrata CBS 138 Carbonic anhydrase Ka 27.4 uM 10.1016/j.bmcl.2010.01.054
Candida glabrata CBS 138 Carbonic anhydrase Km 7900000.0 nM 10.1016/j.bmcl.2010.01.054
Cavia porcellus Cavia porcellus Change 1.0 % 10.1021/jm00168a024
Cavia porcellus Cavia porcellus Change 30.0 % 10.1021/jm00168a024
Cavia porcellus Cavia porcellus Change 109.0 % 10.1021/jm00168a024
Cavia porcellus Cavia porcellus Change 123.0 % 10.1021/jm00168a024
Cavia porcellus Cavia porcellus EC50 140.0 nM 10.1021/jm00101a021
Cavia porcellus Cavia porcellus EC50 199.53 nM 10.1021/jm991056a
Cavia porcellus Cavia porcellus EC50 240.0 nM 10.1021/jm00168a024
Cavia porcellus Cavia porcellus EC50 316.23 nM 10.1021/jm991056a
Cavia porcellus Cavia porcellus EC50 980.0 nM 10.1021/jm00168a024
Cavia porcellus Cavia porcellus EC50 1000.0 nM 10.1021/jm00101a021
Cavia porcellus Cavia porcellus EC50 2238.72 nM 10.1021/jm991056a
Cavia porcellus Cavia porcellus Emax 100.0 None 10.1021/jm991056a
Cavia porcellus Cavia porcellus Kd 0.8511 nM 10.1021/jm0309147
Cavia porcellus Cavia porcellus Relative potency 100.0 None 10.1021/jm991056a
Cavia porcellus Histamine H1 receptor Activity 1.0 None 10.1021/jm00163a001
Cavia porcellus Histamine H1 receptor Activity 100.0 % 10.1016/j.bmcl.2005.10.030
Cavia porcellus Histamine H1 receptor Activity 100.0 None 10.1021/jm00163a001
Cavia porcellus Histamine H1 receptor EC50 162.18 nM 10.1021/jm0309147
Cavia porcellus Histamine H1 receptor EC50 199.53 nM 10.1016/j.bmcl.2005.10.030
Cavia porcellus Histamine H1 receptor EC50 199.53 nM 10.1021/jm0309147
Cavia porcellus Histamine H1 receptor EC50 870963589956083.2 nM 10.1021/jm00008a007
Cavia porcellus Histamine H1 receptor Emax 100.0 % 10.1016/j.bmcl.2005.10.030
Cavia porcellus Histamine H1 receptor Emax 100.0 % 10.1016/s0960-894x(98)00461-2
Cavia porcellus Histamine H1 receptor Emax 100.0 % 10.1021/jm0309147
Cavia porcellus Histamine H1 receptor Intrinsic activity 1.0 None 10.1021/jm00008a007
Cavia porcellus Histamine H1 receptor Intrinsic activity 1.0 None 10.1021/jm00101a021
Cavia porcellus Histamine H1 receptor Intrinsic activity 1.06 None 10.1021/jm00008a007
Cavia porcellus Histamine H1 receptor Kd 0.7762 nM 10.1016/s0960-894x(98)00461-2
Cavia porcellus Histamine H1 receptor Kd 0.7762 nM 10.1021/jm991056a
Cavia porcellus Histamine H1 receptor Kd 0.8511 nM 10.1016/s0960-894x(98)00461-2
Cavia porcellus Histamine H1 receptor Kd 0.8511 nM 10.1021/jm991056a
Cavia porcellus Histamine H1 receptor Kd 1.0 nM 10.1021/jm0309147
Cavia porcellus Histamine H1 receptor Kd 1.0 nM 10.1021/jm991056a
Cavia porcellus Histamine H1 receptor Kd 10.0 nM 10.1021/jm991056a
Cavia porcellus Histamine H1 receptor Ki 12589.25 nM 10.1021/jm00002a008
Cavia porcellus Histamine H1 receptor pD2 6.6 None 10.1021/jm9810912
Cavia porcellus Histamine H1 receptor pD2 6.7 None 10.1021/jm00008a007
Cavia porcellus Histamine H1 receptor pKb 9.09 None 10.1021/jm00008a007
Cavia porcellus Histamine H1 receptor pKb 9.11 None 10.1021/jm00008a007
Cavia porcellus Histamine H1 receptor Potency 100.0 None 10.1021/jm00163a001
Cavia porcellus Histamine H1 receptor Relative activity 100.0 % 10.1021/jm00008a007
Cavia porcellus Histamine H1 receptor Relative activity 105.0 % 10.1021/jm00008a007
Cavia porcellus Histamine H1 receptor Relative potency 100.0 % 10.1016/s0960-894x(98)00461-2
Cavia porcellus Histamine H1 receptor Relative potency 100.0 None 10.1021/jm0309147
Cavia porcellus Histamine H2 receptor Activity 1.0 None 10.1021/jm00163a001
Cavia porcellus Histamine H2 receptor Activity 100.0 None 10.1021/jm00163a001
Cavia porcellus Histamine H2 receptor EC50 251.19 nM 10.1021/acs.jmedchem.1c00692
Cavia porcellus Histamine H2 receptor EC50 691.83 nM 10.1016/j.ejmech.2021.113190
Cavia porcellus Histamine H2 receptor EC50 691.83 nM 10.1021/acs.jmedchem.1c00692
Cavia porcellus Histamine H2 receptor EC50 1000.0 nM 10.1016/j.bmcl.2010.03.082
Cavia porcellus Histamine H2 receptor EC50 1000.0 nM 10.1021/jm800841w
Cavia porcellus Histamine H2 receptor EC50 1000.0 nM 10.1021/jm9000693
Cavia porcellus Histamine H2 receptor EC50 1000.0 nM 10.1039/C3MD00245D
Cavia porcellus Histamine H2 receptor EC50 1200.0 nM 10.1021/jm800841w
Cavia porcellus Histamine H2 receptor EC50 1202.26 nM 10.1016/j.bmcl.2010.03.082
Cavia porcellus Histamine H2 receptor Effect nan None 10.1021/jm00394a031
Cavia porcellus Histamine H2 receptor Emax 1.0 % 10.1016/j.bmcl.2010.03.082
Cavia porcellus Histamine H2 receptor Emax 1.0 % 10.1021/acs.jmedchem.1c00692
Cavia porcellus Histamine H2 receptor Emax 100.0 % 10.1016/j.bmcl.2010.03.082
Cavia porcellus Histamine H2 receptor Intrinsic activity 1.0 None 10.1021/jm00008a007
Cavia porcellus Histamine H2 receptor Intrinsic activity 1.0 None 10.1021/jm00095a021
Cavia porcellus Histamine H2 receptor Intrinsic activity 1.0 None 10.1021/jm00101a021
Cavia porcellus Histamine H2 receptor Kd 69183.1 nM 10.1021/jm00095a021
Cavia porcellus Histamine H2 receptor pD2 5.81 None 10.1021/jm00384a036
Cavia porcellus Histamine H2 receptor pD2 5.88 None 10.1021/jm00384a036
Cavia porcellus Histamine H2 receptor pD2 5.89 None 10.1021/jm00384a036
Cavia porcellus Histamine H2 receptor pD2 5.95 None 10.1021/jm00163a001
Cavia porcellus Histamine H2 receptor pD2 6.1 None 10.1021/jm9810912
Cavia porcellus Histamine H2 receptor pD2 6.14 None 10.1016/S0960-894X(01)80533-3
Cavia porcellus Histamine H2 receptor pD2 6.14 None 10.1021/jm00095a021
Cavia porcellus Histamine H2 receptor Relative potency 1.0 None 10.1021/jm00394a031
Cavia porcellus Histamine H3 receptor Ki 0.1445 nM 10.1016/s0960-894x(99)00272-3
Cavia porcellus Histamine H3 receptor Ki 10.47 nM 10.1016/s0960-894x(99)00272-3
Cavia porcellus Histamine H3 receptor p[A]50 7.15 None 10.1016/s0960-894x(99)00272-3
Cavia porcellus Histamine H3 receptor pD2 6.2 None 10.1021/jm00002a008
Cavia porcellus Histamine H3 receptor pD2 7.4 None 10.1021/jm9810912
Cavia porcellus Histamine H4 receptor Ki 6.0 nM 10.1021/acs.jmedchem.5b00516
Cavia porcellus Muscarinic acetylcholine receptor M3 pA2 nan None 10.1016/s0960-894x(98)00461-2
Cryptococcus neoformans var. grubii Carbonic anhydrase 2 KA 33.2 uM 10.1016/j.bmc.2009.12.058
Cryptococcus neoformans var. grubii Carbonic anhydrase 2 Kcat 3.9 10'5/s 10.1016/j.bmc.2009.12.058
Cryptococcus neoformans var. grubii Carbonic anhydrase 2 Kcat 6.8 10'5/s 10.1016/j.bmc.2009.12.058
Cryptococcus neoformans var. grubii Carbonic anhydrase 2 Km 9000000.0 nM 10.1016/j.bmc.2009.12.058
Escherichia coli K-12 Beta-lactamase AmpC Potency 3162277.7 nM None
Homo sapiens Acetylcholinesterase 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.112.047068
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 79432.8 nM None
Homo sapiens Carbonic anhydrase I Activity 165.0 % 10.1016/s0960-894x(03)00507-9
Homo sapiens Carbonic anhydrase I Activity 185.0 % 10.1016/s0960-894x(03)00507-9
Homo sapiens Carbonic anhydrase I Ka 0.05 uM 10.1016/j.bmcl.2006.11.027
Homo sapiens Carbonic anhydrase I Ka 2.0 uM 10.1016/s0960-894x(99)00310-8
Homo sapiens Carbonic anhydrase I Ka 2.1 uM 10.1016/j.bmcl.2008.06.075
Homo sapiens Carbonic anhydrase I KA 2.0 uM 10.1016/j.bmc.2014.07.005
Homo sapiens Carbonic anhydrase I KA 2.0 uM 10.1016/j.bmc.2017.01.031
Homo sapiens Carbonic anhydrase I KA 2.0 uM 10.1016/j.bmcl.2011.06.030
Homo sapiens Carbonic anhydrase I KA 2.0 uM 10.1016/s0960-894x(02)00121-x
Homo sapiens Carbonic anhydrase I KA 2.0 uM 10.1021/jm010958k
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1016/j.bmc.2008.02.021
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1016/j.bmc.2009.07.019
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1016/j.bmc.2010.01.059
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1016/j.bmc.2018.07.011
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1016/j.bmc.2019.01.017
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1016/j.bmcl.2006.05.023
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1016/j.bmcl.2007.05.052
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1016/j.bmcl.2008.10.005
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1016/j.bmcl.2012.08.088
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1016/j.bmcl.2012.12.009
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1016/j.bmcl.2016.11.027
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1016/j.ejmech.2021.113875
Homo sapiens Carbonic anhydrase I KA 2.1 uM 10.1021/jm011031n
Homo sapiens Carbonic anhydrase I Kcat 12.7 10^5/s 10.1016/j.bmcl.2006.11.027
Homo sapiens Carbonic anhydrase II Activity 175.0 % 10.1016/s0960-894x(03)00507-9
Homo sapiens Carbonic anhydrase II Ka 74.0 uM 10.1016/j.bmcl.2006.11.027
Homo sapiens Carbonic anhydrase II Ka 125.0 uM 10.1016/j.bmcl.2008.06.075
Homo sapiens Carbonic anhydrase II Ka 125.0 uM 10.1016/j.bmcl.2009.01.105
Homo sapiens Carbonic anhydrase II Ka 125.0 uM 10.1016/j.bmcl.2010.01.054
Homo sapiens Carbonic anhydrase II Ka 125.0 uM 10.1016/s0960-894x(99)00310-8
Homo sapiens Carbonic anhydrase II KA 12.5 uM 10.1016/j.ejmech.2021.113875
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmc.2008.02.021
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmc.2009.07.019
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmc.2010.01.059
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmc.2014.07.005
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmc.2017.01.031
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmc.2018.07.011
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmc.2019.01.017
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmcl.2006.05.023
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmcl.2007.05.052
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmcl.2008.10.005
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmcl.2011.06.030
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmcl.2012.08.088
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmcl.2012.12.009
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/j.bmcl.2016.11.027
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1016/s0960-894x(02)00121-x
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1021/jm010958k
Homo sapiens Carbonic anhydrase II KA 125.0 uM 10.1021/jm011031n
Homo sapiens Carbonic anhydrase II Kcat 2.0 10'6/s 10.1016/j.bmcl.2009.01.105
Homo sapiens Carbonic anhydrase II Kcat 2.0 10^6/s 10.1016/j.bmcl.2006.11.027
Homo sapiens Carbonic anhydrase II Km 9300000.0 nM 10.1016/j.bmcl.2010.01.054
Homo sapiens Carbonic anhydrase III Ka 36.9 uM 10.1016/j.bmcl.2008.06.075
Homo sapiens Carbonic anhydrase III KA 36.9 uM 10.1016/j.bmc.2009.07.019
Homo sapiens Carbonic anhydrase III KA 36.9 uM 10.1016/j.bmcl.2008.10.005
Homo sapiens Carbonic anhydrase III KA 37.0 uM 10.1016/j.ejmech.2021.113875
Homo sapiens Carbonic anhydrase IV Ka 25.3 uM 10.1016/j.bmcl.2008.06.075
Homo sapiens Carbonic anhydrase IV Ka 31.0 uM 10.1016/j.bmcl.2006.11.027
Homo sapiens Carbonic anhydrase IV KA 4.03 uM 10.1016/j.bmc.2019.01.017
Homo sapiens Carbonic anhydrase IV KA 25.0 uM 10.1016/j.ejmech.2021.113875
Homo sapiens Carbonic anhydrase IV KA 25.3 uM 10.1016/j.bmc.2009.07.019
Homo sapiens Carbonic anhydrase IV KA 25.3 uM 10.1016/j.bmcl.2009.05.026
Homo sapiens Carbonic anhydrase IV KA 37.0 uM 10.1016/j.bmcl.2005.08.069
Homo sapiens Carbonic anhydrase IV Kcat 3.5 10^6/s 10.1016/j.bmcl.2006.11.027
Homo sapiens Carbonic anhydrase IX KA 35.0 uM 10.1016/j.ejmech.2021.113875
Homo sapiens Carbonic anhydrase IX KA 35.1 uM 10.1016/j.bmc.2008.02.021
Homo sapiens Carbonic anhydrase IX KA 35.1 uM 10.1016/j.bmc.2009.07.019
Homo sapiens Carbonic anhydrase VA Ka 2.5 uM 10.1016/j.bmcl.2006.11.027
Homo sapiens Carbonic anhydrase VA KA 0.01 uM 10.1016/j.bmc.2009.07.019
Homo sapiens Carbonic anhydrase VA KA 0.01 uM 10.1016/j.bmcl.2006.11.075
Homo sapiens Carbonic anhydrase VA KA 0.01 uM 10.1016/j.ejmech.2021.113875
Homo sapiens Carbonic anhydrase VA Kcat 8.6 10^5/s 10.1016/j.bmcl.2006.11.027
Homo sapiens Carbonic anhydrase VB KA 3.5 uM 10.1016/j.ejmech.2021.113875
Homo sapiens Carbonic anhydrase VB KA 3.52 uM 10.1016/j.bmc.2009.07.019
Homo sapiens Carbonic anhydrase VB KA 3.52 uM 10.1016/j.bmcl.2006.11.075
Homo sapiens Carbonic anhydrase VI KA 6.5 uM 10.1016/j.bmc.2009.07.019
Homo sapiens Carbonic anhydrase VI KA 6.5 uM 10.1016/j.bmc.2010.01.059
Homo sapiens Carbonic anhydrase VI KA 6.5 uM 10.1016/j.ejmech.2021.113875
Homo sapiens Carbonic anhydrase VI KA 37.6 uM 10.1016/j.bmc.2019.01.017
Homo sapiens Carbonic anhydrase VII Ka 1.3 uM 10.1016/j.bmcl.2006.11.027
Homo sapiens Carbonic anhydrase VII Ka 37.6 uM 10.1016/j.bmc.2021.116276
Homo sapiens Carbonic anhydrase VII KA 37.0 uM 10.1016/j.ejmech.2021.113875
Homo sapiens Carbonic anhydrase VII KA 37.5 uM 10.1016/j.bmc.2009.07.019
Homo sapiens Carbonic anhydrase VII KA 37.5 uM 10.1016/j.bmc.2014.07.005
Homo sapiens Carbonic anhydrase VII KA 37.5 uM 10.1016/j.bmcl.2007.05.052
Homo sapiens Carbonic anhydrase VII Kcat 15.2 10^5/s 10.1016/j.bmcl.2006.11.027
Homo sapiens Carbonic anhydrase XII KA 27.9 uM 10.1016/j.bmc.2008.02.021
Homo sapiens Carbonic anhydrase XII KA 27.9 uM 10.1016/j.bmc.2009.07.019
Homo sapiens Carbonic anhydrase XII KA 27.9 uM 10.1016/j.bmc.2014.07.005
Homo sapiens Carbonic anhydrase XII KA 28.0 uM 10.1016/j.ejmech.2021.113875
Homo sapiens Carbonic anhydrase XIII KA 4.6 uM 10.1016/j.ejmech.2021.113875
Homo sapiens Carbonic anhydrase XIV Ka 1.9 uM 10.1016/j.bmcl.2006.11.027
Homo sapiens Carbonic anhydrase XIV KA 0.01 uM 10.1016/j.bmc.2009.07.019
Homo sapiens Carbonic anhydrase XIV KA 0.01 uM 10.1016/j.bmc.2014.07.005
Homo sapiens Carbonic anhydrase XIV KA 0.01 uM 10.1016/j.bmcl.2007.05.052
Homo sapiens Carbonic anhydrase XIV KA 0.01 uM 10.1016/j.ejmech.2021.113875
Homo sapiens Carbonic anhydrase XIV Kcat 10.0 10^5/s 10.1016/j.bmcl.2006.11.027
Homo sapiens Cholesterol 24-hydroxylase Activity 70.0 % None
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 5623.4 nM None
Homo sapiens DNA polymerase iota Potency 89125.1 nM None
Homo sapiens Dopamine D1 receptor AC50 30000.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Equilibrative nucleoside transporter 4 Activity -110.0 nanoampere 10.1124/dmd.111.042432
Homo sapiens Equilibrative nucleoside transporter 4 Activity -30.5 nanoampere 10.1124/dmd.111.042432
Homo sapiens Equilibrative nucleoside transporter 4 Activity nan None 10.1124/dmd.111.042432
Homo sapiens Equilibrative nucleoside transporter 4 FC 2.0 None 10.1124/dmd.111.042432
Homo sapiens Equilibrative nucleoside transporter 4 K0.5 10.0 mM 10.1124/dmd.111.042432
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Galactocerebrosidase Potency 707.9 nM None
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor Activity nan None 10.1038/nchembio714
Homo sapiens Histamine H1 receptor Alpha 1.0 None 10.1021/jm030936t
Homo sapiens Histamine H1 receptor Change 284.0 % 10.1021/jm00394a031
Homo sapiens Histamine H1 receptor EC50 13.0 nM 10.1021/jm020415q
Homo sapiens Histamine H1 receptor EC50 45.0 nM 10.1021/jm0603318
Homo sapiens Histamine H1 receptor EC50 190.0 nM 10.1021/acs.jmedchem.6b00120
Homo sapiens Histamine H1 receptor EC50 190.0 nM 10.1021/jm800841w
Homo sapiens Histamine H1 receptor EC50 190.55 nM 10.1016/j.bmcl.2010.03.082
Homo sapiens Histamine H1 receptor EC50 190.55 nM 10.1021/jm9000693
Homo sapiens Histamine H1 receptor EC50 190.55 nM 10.1021/jm900526h
Homo sapiens Histamine H1 receptor EC50 190.55 nM 10.1039/C3MD00245D
Homo sapiens Histamine H1 receptor EC50 199.53 nM 10.1016/j.bmcl.2010.10.041
Homo sapiens Histamine H1 receptor Effect nan None 10.1021/jm00394a031
Homo sapiens Histamine H1 receptor Emax 1.0 % 10.1016/j.bmcl.2010.03.082
Homo sapiens Histamine H1 receptor IC50 158.49 nM 10.1021/jm030936t
Homo sapiens Histamine H1 receptor IC50 1000.0 nM 10.1016/S0960-894X(97)10097-X
Homo sapiens Histamine H1 receptor Kd 4.5 nM 10.1021/acs.jmedchem.1c00692
Homo sapiens Histamine H1 receptor Ki 2398.83 nM 10.1016/j.ejmech.2021.113190
Homo sapiens Histamine H1 receptor Ki 2398.83 nM 10.1021/acs.jmedchem.1c00692
Homo sapiens Histamine H1 receptor Ki 6000.0 nM 10.1021/acs.jmedchem.5b00516
Homo sapiens Histamine H1 receptor Ki 12589.25 nM 10.1038/nchembio714
Homo sapiens Histamine H1 receptor Ki 19952.62 nM 10.1038/nchembio714
Homo sapiens Histamine H1 receptor Ki 31622.78 nM 10.1038/nchembio714
Homo sapiens Histamine H1 receptor Ki 39810.72 nM 10.1038/nchembio714
Homo sapiens Histamine H1 receptor Ki 79432.82 nM 10.1038/nchembio714
Homo sapiens Histamine H1 receptor Ki 1000000.0 nM 10.1038/nchembio714
Homo sapiens Histamine H1 receptor Ki 15848931924611.11 nM 10.1021/jm030936t
Homo sapiens Histamine H2 receptor EC50 114.82 nM 10.1016/j.bmcl.2021.128388
Homo sapiens Histamine H2 receptor EC50 114.82 nM 10.1021/acs.jmedchem.1c00692
Homo sapiens Histamine H2 receptor EC50 463.0 nM 10.1021/jm020415q
Homo sapiens Histamine H2 receptor EC50 650.0 nM 10.1021/jm0603318
Homo sapiens Histamine H2 receptor EC50 977.24 nM 10.1016/j.ejmech.2021.113190
Homo sapiens Histamine H2 receptor EC50 1200.0 nM 10.1021/jm800841w
Homo sapiens Histamine H2 receptor EC50 1202.26 nM 10.1021/jm9000693
Homo sapiens Histamine H2 receptor EC50 1202.26 nM 10.1021/jm900526h
Homo sapiens Histamine H2 receptor EC50 1202.26 nM 10.1039/C3MD00245D
Homo sapiens Histamine H2 receptor EC50 1258.93 nM 10.1016/j.bmcl.2010.03.082
Homo sapiens Histamine H2 receptor EC50 1412.54 nM 10.1016/j.bmcl.2021.128388
Homo sapiens Histamine H2 receptor EC50 1584.89 nM 10.1021/acsmedchemlett.0c00033
Homo sapiens Histamine H2 receptor EC50 3801.89 nM 10.1016/j.bmcl.2021.128388
Homo sapiens Histamine H2 receptor EC50 3801.89 nM 10.1016/j.ejmech.2021.113190
Homo sapiens Histamine H2 receptor EC50 3801.89 nM 10.1021/acs.jmedchem.1c00692
Homo sapiens Histamine H2 receptor EC50 5495.41 nM 10.1016/j.bmcl.2021.128388
Homo sapiens Histamine H2 receptor Emax 1.0 % 10.1016/j.bmcl.2010.03.082
Homo sapiens Histamine H2 receptor Emax 1.0 % 10.1021/acs.jmedchem.1c00692
Homo sapiens Histamine H2 receptor Emax 1.0 None 10.1016/j.bmcl.2021.128388
Homo sapiens Histamine H2 receptor Kd 12.2 nM 10.1021/acs.jmedchem.1c00692
Homo sapiens Histamine H2 receptor Ki 263.03 nM 10.1016/j.bmcl.2021.128388
Homo sapiens Histamine H2 receptor Ki 263.03 nM 10.1016/j.ejmech.2021.113190
Homo sapiens Histamine H2 receptor Ki 263.03 nM 10.1021/acs.jmedchem.1c00692
Homo sapiens Histamine H2 receptor Ki 295.12 nM 10.1021/acsmedchemlett.0c00033
Homo sapiens Histamine H2 receptor Ki 5000.0 nM 10.1021/acs.jmedchem.5b00516
Homo sapiens Histamine H2 receptor Ki 39810.72 nM 10.1021/jm00002a008
Homo sapiens Histamine H2 receptor Ki 50118.72 nM 10.1016/j.bmcl.2010.10.041
Homo sapiens Histamine H2 receptor Ratio 1.0 None 10.1021/jm00384a036
Homo sapiens Histamine H3 receptor AC50 9.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor Activity 110.0 % 10.1021/jm901890s
Homo sapiens Histamine H3 receptor EC50 2.512 nM 10.1021/acs.jmedchem.9b01462
Homo sapiens Histamine H3 receptor EC50 4.0 nM 10.1016/j.ejmech.2020.112150
Homo sapiens Histamine H3 receptor EC50 4.074 nM 10.1021/jm0300025
Homo sapiens Histamine H3 receptor EC50 5.012 nM 10.1016/j.bmcl.2010.10.041
Homo sapiens Histamine H3 receptor EC50 5.012 nM 10.1021/acs.jmedchem.9b01462
Homo sapiens Histamine H3 receptor EC50 9.772 nM 10.1021/jm030905y
Homo sapiens Histamine H3 receptor EC50 12.88 nM 10.1016/j.bmcl.2010.03.082
Homo sapiens Histamine H3 receptor EC50 12.88 nM 10.1039/C3MD00245D
Homo sapiens Histamine H3 receptor EC50 13.0 nM 10.1021/acs.jmedchem.6b00120
Homo sapiens Histamine H3 receptor EC50 15.85 nM 10.1021/jm1013488
Homo sapiens Histamine H3 receptor EC50 25.1 nM 10.1021/jm800841w
Homo sapiens Histamine H3 receptor EC50 25.12 nM 10.1021/jm9000693
Homo sapiens Histamine H3 receptor EC50 25.12 nM 10.1021/jm900526h
Homo sapiens Histamine H3 receptor EC50 25.12 nM 10.1039/C3MD00245D
Homo sapiens Histamine H3 receptor EC50 30.0 nM 10.1016/j.ejmech.2020.112150
Homo sapiens Histamine H3 receptor EC50 63.1 nM 10.1021/acs.jmedchem.9b01462
Homo sapiens Histamine H3 receptor EC50 77.0 nM 10.1021/jm020415q
Homo sapiens Histamine H3 receptor EC50 88.0 nM 10.1021/jm0603318
Homo sapiens Histamine H3 receptor EC50 640.0 nM 10.1021/jm901890s
Homo sapiens Histamine H3 receptor Efficacy 1.0 None 10.1021/jm0300025
Homo sapiens Histamine H3 receptor Emax 1.0 % 10.1016/j.bmcl.2010.03.082
Homo sapiens Histamine H3 receptor Intrinsic activity 1.0 None 10.1016/j.bmcl.2010.10.041
Homo sapiens Histamine H3 receptor Intrinsic activity 1.0 None 10.1021/acs.jmedchem.9b01462
Homo sapiens Histamine H3 receptor Intrinsic activity 1.0 None 10.1021/jm030905y
Homo sapiens Histamine H3 receptor Kd 3.0 nM 10.1021/acs.jmedchem.1c00692
Homo sapiens Histamine H3 receptor Ki 2.512 nM 10.1016/j.bmc.2020.115924
Homo sapiens Histamine H3 receptor Ki 5.2 nM 10.1021/jm901890s
Homo sapiens Histamine H3 receptor Ki 6.31 nM 10.1021/jm201042n
Homo sapiens Histamine H3 receptor Ki 9.333 nM 10.1021/jm030905y
Homo sapiens Histamine H3 receptor Ki 10.0 nM 10.1016/j.bmcl.2010.10.041
Homo sapiens Histamine H3 receptor Ki 10.0 nM 10.1021/acs.jmedchem.9b01462
Homo sapiens Histamine H3 receptor Ki 11.75 nM 10.1021/jm1013488
Homo sapiens Histamine H3 receptor Ki 12.59 nM 10.1021/acs.jmedchem.9b01462
Homo sapiens Histamine H3 receptor Ki 12.8 nM 10.1016/j.bmcl.2016.09.049
Homo sapiens Histamine H3 receptor Ki 16.0 nM 10.1021/acs.jmedchem.5b00516
Homo sapiens Histamine H3 receptor Ki 25.7 nM 10.1016/j.ejmech.2021.113190
Homo sapiens Histamine H3 receptor Ki 25.7 nM 10.1021/acs.jmedchem.1c00692
Homo sapiens Histamine H3 receptor Ki 33.88 nM 10.1021/jm0300025
Homo sapiens Histamine H3 receptor Ki 501.19 nM 10.1021/acs.jmedchem.1c01089
Homo sapiens Histamine H3 receptor Ki 588.84 nM 10.1021/acs.jmedchem.1c01089
Homo sapiens Histamine H3 receptor Selectivity 1.6 None 10.1021/jm030905y
Homo sapiens Histamine H4 receptor Activity nan None 10.1021/jm800876b
Homo sapiens Histamine H4 receptor Activity nan None 10.1021/jm901379s
Homo sapiens Histamine H4 receptor EC50 7.413 nM 10.1021/acs.jmedchem.9b01342
Homo sapiens Histamine H4 receptor EC50 7.943 nM 10.1016/j.bmcl.2015.12.035
Homo sapiens Histamine H4 receptor EC50 9.12 nM 10.1016/j.bmcl.2010.03.082
Homo sapiens Histamine H4 receptor EC50 11.0 nM 10.1021/acs.jmedchem.6b00120
Homo sapiens Histamine H4 receptor EC50 11.6 nM 10.1021/jm800841w
Homo sapiens Histamine H4 receptor EC50 11.75 nM 10.1016/j.bmc.2009.08.059
Homo sapiens Histamine H4 receptor EC50 12.02 nM 10.1021/jm9000693
Homo sapiens Histamine H4 receptor EC50 12.02 nM 10.1021/jm900526h
Homo sapiens Histamine H4 receptor EC50 12.02 nM 10.1039/C3MD00245D
Homo sapiens Histamine H4 receptor EC50 12.59 nM 10.1016/j.bmcl.2010.10.041
Homo sapiens Histamine H4 receptor EC50 13.0 nM 10.1021/acs.jmedchem.6b00120
Homo sapiens Histamine H4 receptor EC50 13.8 nM 10.1016/j.bmc.2009.08.059
Homo sapiens Histamine H4 receptor EC50 16.98 nM 10.1021/acs.jmedchem.9b01342
Homo sapiens Histamine H4 receptor EC50 19.95 nM 10.1016/j.bmcl.2010.10.041
Homo sapiens Histamine H4 receptor EC50 20.42 nM 10.1039/C3MD00245D
Homo sapiens Histamine H4 receptor EC50 20.89 nM 10.1021/jm0300025
Homo sapiens Histamine H4 receptor EC50 25.12 nM 10.1021/jm1013488
Homo sapiens Histamine H4 receptor EC50 33.88 nM 10.1021/acs.jmedchem.9b01342
Homo sapiens Histamine H4 receptor EC50 54.95 nM 10.1021/jm030905y
Homo sapiens Histamine H4 receptor EC50 75.0 nM 10.1021/jm020415q
Homo sapiens Histamine H4 receptor EC50 79.43 nM 10.1016/j.bmcl.2010.10.041
Homo sapiens Histamine H4 receptor EC50 1800.0 nM 10.1021/jm0603318
Homo sapiens Histamine H4 receptor Emax 1.0 % 10.1016/j.bmcl.2010.03.082
Homo sapiens Histamine H4 receptor Intrinsic activity 1.0 None 10.1016/j.bmcl.2010.10.041
Homo sapiens Histamine H4 receptor Intrinsic activity 1.0 None 10.1021/jm030905y
Homo sapiens Histamine H4 receptor Kd 5.0 nM 10.1021/acs.jmedchem.9b01342
Homo sapiens Histamine H4 receptor Kd 16.0 nM 10.1021/acs.jmedchem.1c00692
Homo sapiens Histamine H4 receptor Ki 1.0 nM 10.1016/j.bmc.2020.115924
Homo sapiens Histamine H4 receptor Ki 1.6 nM 10.1016/j.bmcl.2016.09.049
Homo sapiens Histamine H4 receptor Ki 4.8 nM 10.1021/acs.jmedchem.5b00516
Homo sapiens Histamine H4 receptor Ki 7.943 nM 10.1016/j.bmcl.2004.08.035
Homo sapiens Histamine H4 receptor Ki 7.943 nM 10.1016/j.bmcl.2010.10.041
Homo sapiens Histamine H4 receptor Ki 8.0 nM 10.1021/acs.jmedchem.5b00516
Homo sapiens Histamine H4 receptor Ki 9.0 nM 10.1016/j.bmcl.2011.10.104
Homo sapiens Histamine H4 receptor Ki 12.02 nM 10.1021/jm1013488
Homo sapiens Histamine H4 receptor Ki 12.02 nM 10.1021/jm7014217
Homo sapiens Histamine H4 receptor Ki 12.02 nM 10.1021/jm901379s
Homo sapiens Histamine H4 receptor Ki 12.59 nM 10.1016/j.bmcl.2010.10.041
Homo sapiens Histamine H4 receptor Ki 13.4 nM 10.1021/jm7014777
Homo sapiens Histamine H4 receptor Ki 14.45 nM 10.1021/jm030905y
Homo sapiens Histamine H4 receptor Ki 15.85 nM 10.1021/jm201042n
Homo sapiens Histamine H4 receptor Ki 15.85 nM 10.1039/C5MD00022J
Homo sapiens Histamine H4 receptor Ki 19.95 nM 10.1039/C2MD20212C
Homo sapiens Histamine H4 receptor Ki 25.12 nM 10.1016/j.ejmech.2021.113190
Homo sapiens Histamine H4 receptor Ki 25.12 nM 10.1021/acs.jmedchem.1c00692
Homo sapiens Histamine H4 receptor Ki 60.0 nM 10.1016/j.bmcl.2010.04.017
Homo sapiens Histone deacetylase 6 Inhibition -6.66 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -2.04 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 8436.8 nM None
Homo sapiens Homo sapiens CA 121.0 % 10.1021/jm010958k
Homo sapiens Homo sapiens CA 130.0 % 10.1021/jm010958k
Homo sapiens Homo sapiens CA activity 121.0 % 10.1021/jm011031n
Homo sapiens Homo sapiens CA activity 130.0 % 10.1021/jm011031n
Homo sapiens Macrophage migration inhibitory factor IC50 73600.0 nM 10.1016/j.bmcl.2021.128445
Homo sapiens Macrophage migration inhibitory factor Inhibition 61.0 % 10.1016/j.bmcl.2021.128445
Homo sapiens Macrophage migration inhibitory factor Inhibition nan % 10.1016/j.bmcl.2021.128445
Homo sapiens Macrophage migration inhibitory factor Ki 62000.0 nM 10.1016/j.bmcl.2021.128445
Homo sapiens Monoamine oxidase A AC50 30000.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prelamin-A/C Potency 891.3 nM None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Regulator of G-protein signaling 4 Potency 10621.3 nM None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Solute carrier family 22 member 1 Activity 3007.0 uM 10.1124/mol.63.3.489
Homo sapiens Solute carrier family 22 member 1 Inhibition 4.1 % 10.1021/jm8003152
Homo sapiens Solute carrier family 22 member 2 Activity nan None 10.1097/01.asn.0000019413.78751.46
Homo sapiens Solute carrier family 22 member 2 Km 1300000.0 nM 10.1124/mol.54.2.342
Homo sapiens Solute carrier family 22 member 3 Ki 140000.0 nM 10.1124/mol.56.1.1
Homo sapiens Solute carrier family 22 member 3 Km 180000.0 nM 10.1124/mol.56.1.1
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thyroid stimulating hormone receptor Potency 31622.8 nM None
Homo sapiens U-937 Activity nan None 10.1021/jm901063e
Homo sapiens U-937 IC50 nan None 10.1021/jm901063e
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 44668.4 nM None
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Methanobacterium thermoautotrophicum Carbonic anhydrase Ka 76.0 uM 10.1016/j.bmcl.2010.01.054
Methanobacterium thermoautotrophicum Carbonic anhydrase Km 1700000.0 nM 10.1016/j.bmcl.2010.01.054
Methanosarcina thermophila Carbonic anhydrase KA 63.0 uM 10.1016/j.bmcl.2016.11.027
Mus musculus Carbonic anhydrase 15 KA 18.5 uM 10.1016/j.bmcl.2009.05.026
Mus musculus Carbonic anhydrase XIII KA 4.6 uM 10.1016/j.bmc.2009.07.019
Mus musculus Carbonic anhydrase XIII KA 4.6 uM 10.1016/j.bmcl.2006.05.023
Mus musculus Histamine H1 receptor Effect nan None 10.1021/jm00394a031
Mus musculus Histamine H2 receptor Effect nan None 10.1021/jm00394a031
Mus musculus Histamine H2 receptor Relative potency 1.0 None 10.1021/jm00394a031
Mus musculus Histamine H3 receptor Ki 68.0 nM 10.1016/j.bmcl.2009.06.025
Mus musculus Histamine H4 receptor EC50 87.1 nM 10.1021/acs.jmedchem.9b01342
Mus musculus Histamine H4 receptor EC50 94.0 nM 10.1021/acs.jmedchem.6b00120
Mus musculus Histamine H4 receptor EC50 2344.23 nM 10.1021/acs.jmedchem.9b01342
Mus musculus Histamine H4 receptor EC50 5011.87 nM 10.1016/j.bmcl.2010.10.041
Mus musculus Histamine H4 receptor EC50 6760.83 nM 10.1021/acs.jmedchem.9b01342
Mus musculus Histamine H4 receptor Intrinsic activity 1.0 None 10.1016/j.bmcl.2010.10.041
Mus musculus Histamine H4 receptor Kd 42.0 nM 10.1021/acs.jmedchem.9b01342
Mus musculus Histamine H4 receptor Ki 42.0 nM 10.1021/acs.jmedchem.5b00516
Mus musculus Histamine H4 receptor Ki 79.43 nM 10.1016/j.bmcl.2010.10.041
Mus musculus P19 Activity nan None 10.1021/jm901063e
Mus musculus P19 IC50 nan None 10.1021/jm901063e
Mus musculus RAW264.7 Activity nan None 10.1016/j.bmcl.2021.128445
Mus musculus Solute carrier family 22 member 5 Activity nan None 10.1124/mol.59.2.358
Plasmodium falciparum Plasmodium falciparum IC50 660.0 nM 10.1128/aac.00431-10
Plasmodium falciparum Plasmodium falciparum Potency 19011.5 nM None
Rattus norvegicus Histamine H1 receptor EC50 4466.84 nM 10.1021/jm0309147
Rattus norvegicus Histamine H1 receptor Emax 100.0 % 10.1021/jm0309147
Rattus norvegicus Histamine H1 receptor Kd 10.0 nM 10.1021/jm0309147
Rattus norvegicus Histamine H1 receptor Relative potency 100.0 None 10.1021/jm0309147
Rattus norvegicus Histamine H2 receptor Kd 117489.76 nM 10.1016/S0960-894X(01)80533-3
Rattus norvegicus Histamine H3 receptor Agonistic activity nan None 10.1021/jm980408v
Rattus norvegicus Histamine H3 receptor Antagonist activity nan None 10.1021/jm980408v
Rattus norvegicus Histamine H3 receptor Intrinsic activity 1.0 None 10.1021/jm00101a021
Rattus norvegicus Histamine H3 receptor Ki 6.31 nM 10.1021/jm9810912
Rattus norvegicus Histamine H3 receptor pD2 7.2 None 10.1021/jm980408v
Rattus norvegicus Histamine H3 receptor pD2 7.4 None 10.1021/jm9810912
Rattus norvegicus Histamine H4 receptor EC50 158.49 nM 10.1016/j.bmcl.2010.10.041
Rattus norvegicus Histamine H4 receptor EC50 295.12 nM 10.1021/acs.jmedchem.9b01342
Rattus norvegicus Histamine H4 receptor EC50 3715.35 nM 10.1021/acs.jmedchem.9b01342
Rattus norvegicus Histamine H4 receptor EC50 52480.75 nM 10.1021/acs.jmedchem.9b01342
Rattus norvegicus Histamine H4 receptor Intrinsic activity 1.0 None 10.1016/j.bmcl.2010.10.041
Rattus norvegicus Histamine H4 receptor Kd 134.0 nM 10.1021/acs.jmedchem.9b01342
Rattus norvegicus Histamine H4 receptor Ki 63.1 nM 10.1016/j.bmcl.2010.10.041
Rattus norvegicus Histamine H4 receptor Ki 136.0 nM 10.1021/acs.jmedchem.5b00516
Rattus norvegicus Rattus norvegicus Blood pressure -30.0 mmHg 10.1021/jm00072a016
Rattus norvegicus Rattus norvegicus Blood pressure -28.0 mmHg 10.1021/jm00072a016
Rattus norvegicus Rattus norvegicus Blood pressure -28.0 mmHg 10.1021/jm001017v
Rattus norvegicus Rattus norvegicus Blood pressure -23.0 mmHg 10.1021/jm001017v
Rattus norvegicus Rattus norvegicus BP -28.0 mmHg 10.1021/jm991004l
Rattus norvegicus Rattus norvegicus BP -24.0 mmHg 10.1021/jm991004l
Rattus norvegicus Rattus norvegicus Change -26.0 % 10.1016/s0960-894x(99)00569-7
Rattus norvegicus Rattus norvegicus Change -25.0 % 10.1016/s0960-894x(99)00569-7
Rattus norvegicus Rattus norvegicus Change -16.0 % 10.1016/s0960-894x(99)00569-7
Rattus norvegicus Rattus norvegicus Change -3.0 % 10.1016/s0960-894x(99)00569-7
Rattus norvegicus Rattus norvegicus dp/dt -1314.0 mmHg s-1 10.1021/jm00072a016
Rattus norvegicus Rattus norvegicus dP/dt -1002.0 mmHg s-1 10.1021/jm991004l
Rattus norvegicus Rattus norvegicus EC50 62.0 nM 10.1021/jm00101a021
Rattus norvegicus Rattus norvegicus EC50 4466.84 nM 10.1021/jm991056a
Rattus norvegicus Rattus norvegicus ED50 2.7 mg.kg-1 10.1021/jm00168a024
Rattus norvegicus Rattus norvegicus Emax 91.0 None 10.1021/jm991056a
Rattus norvegicus Rattus norvegicus Emax 100.0 None 10.1021/jm991056a
Rattus norvegicus Rattus norvegicus Heart rate -12.0 beats min-1 10.1021/jm991004l
Rattus norvegicus Rattus norvegicus Heart rate -7.0 beats min-1 10.1021/jm00072a016
Rattus norvegicus Rattus norvegicus pD2 7.4 None 10.1021/jm00163a001
Rattus norvegicus Rattus norvegicus Ratio_EC50 100.0 None 10.1021/jm00163a001
Rattus norvegicus Rattus norvegicus Relative potency 100.0 None 10.1021/jm991056a
Rattus norvegicus Solute carrier family 22 member 1 Ki 141000.0 nM 10.1023/a:1013070128668
Rattus norvegicus Solute carrier family 22 member 1 Ki 1400000.0 nM 10.1124/mol.56.1.1
Rattus norvegicus Solute carrier family 22 member 1 Km 98600.0 nM 10.1016/0014-5793(96)01030-7
Rattus norvegicus Solute carrier family 22 member 1 Km 300000.0 nM 10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus Solute carrier family 22 member 2 Ki 171000.0 nM 10.1023/a:1013070128668
Rattus norvegicus Solute carrier family 22 member 2 Ki 390000.0 nM 10.1124/mol.56.1.1
Rattus norvegicus Solute carrier family 22 member 2 Km 278000.0 nM 10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus Solute carrier family 22 member 2 Km 540000.0 nM 10.1124/mol.56.1.1
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 23778.1 nM None
Saccharomyces cerevisiae S288c Carbonic anhydrase Ka 20.4 uM 10.1016/j.bmcl.2009.01.105
Saccharomyces cerevisiae S288c Carbonic anhydrase Ka 20.4 uM 10.1016/j.bmcl.2010.01.054
Saccharomyces cerevisiae S288c Carbonic anhydrase Kcat 19.6 10'5/s 10.1016/j.bmcl.2009.01.105
Saccharomyces cerevisiae S288c Carbonic anhydrase Km 9500000.0 nM 10.1016/j.bmcl.2010.01.054
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 12.67 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 19.79 % 10.6019/CHEMBL4495564
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 0.03 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.3 % 10.6019/CHEMBL4495565
Staphylococcus aureus Staphylococcus aureus MIC 4.0 ug.mL-1 10.1016/j.bmcl.2015.07.043
Staphylococcus epidermidis Staphylococcus epidermidis MIC 4.0 ug.mL-1 10.1016/j.bmcl.2015.07.043
Trypanosoma cruzi (strain CL Brener) Carbonic anhydrase-like protein, putative KA 2.73 uM 10.1016/j.bmc.2018.07.011
None ADMET Concentration 1.0 uM 10.1021/jm991056a
None ADMET Concentration 3.0 uM 10.1021/jm991056a
None ADMET Concentration 30.0 uM 10.1021/jm991056a
None ADMET Concentration 100.0 uM 10.1021/jm991056a
None ADMET pKa1 9.57 None 10.1021/jm00384a036
None ADMET pKa2 6.1 None 10.1021/jm00384a036
None NON-PROTEIN TARGET Activity nan None 10.1021/jm00168a024
None NON-PROTEIN TARGET Potency 149.5 nM None
None NON-PROTEIN TARGET Potency 21117.7 nM None
None No relevant target dP/dt 132.0 None 10.1021/jm00168a024
None No relevant target pKa 6.07 None 10.1021/jm00369a025
None No relevant target pKa 9.756 None 10.1007/s11095-013-1232-z
None No relevant target pKa 9.81 None 10.1021/jm00369a025
None No relevant target pKa1 9.32 None 10.1016/S0960-894X(01)80533-3
None No relevant target pKa2 5.93 None 10.1016/S0960-894X(01)80533-3
None No relevant target Rf 0.52 None 10.1021/jm00229a013
None No relevant target Rf 0.7 None 10.1021/jm00229a013
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Ac50 2.512 uM None
None Unchecked Ac50 10.0 uM None
None Unchecked AC50 2511.9 nM None
None Unchecked AC50 10000.0 nM None
None Unchecked AC50 23080.0 nM None
None Unchecked AC50 106000.0 nM None
None Unchecked C20 0.42 uM l-1 10.1021/jm00168a024
None Unchecked Ka 76.0 uM 10.1016/j.bmcl.2009.01.105
None Unchecked KA 0.08 uM 10.1016/j.bmcl.2012.08.088
None Unchecked KA 0.08 uM 10.1016/j.bmcl.2012.12.009
None Unchecked KA 0.1 uM 10.1016/j.bmcl.2012.12.009
None Unchecked KA 0.12 uM 10.1016/j.bmcl.2016.11.027
None Unchecked KA 0.74 uM 10.1016/j.bmc.2018.07.011
None Unchecked KA 9.2 uM 10.1016/j.bmcl.2008.10.005
None Unchecked KA 10.9 uM 10.1016/j.bmcl.2016.01.078
None Unchecked KA 63.0 uM 10.1016/j.bmcl.2008.10.005
None Unchecked KA 76.0 uM 10.1016/j.bmcl.2008.10.005
None Unchecked KA 120.0 uM 10.1016/j.bmc.2010.01.059
None Unchecked Kcat 1.51 10'6/s 10.1016/j.bmcl.2016.11.027
None Unchecked Kcat 4.5 10'4/s 10.1016/j.bmcl.2009.01.105
None Unchecked Kcat 18.5 10'5/s 10.1016/j.bmcl.2016.01.078
None Unchecked Ki 63.1 nM 10.1016/j.bmcl.2010.10.041
None Unchecked Potency 5011.9 nM None
None Unchecked Ratio 1.0 None 10.1021/jm00384a036
None Unchecked Ratio 1.02 None 10.1021/jm00384a036
None Unchecked Ratio 1.07 None 10.1021/jm00384a036
None Unchecked Ratio EC50 1.05 None 10.1016/j.bmcl.2010.03.082
None Unchecked Ratio Ki 0.1 None 10.1016/j.ejmech.2021.113190
None Unchecked Ratio Ki 0.1 None 10.1021/acs.jmedchem.1c00692
None Unchecked Ratio Ki 0.1 None 10.1021/acsmedchemlett.0c00033
None Unchecked Ratio Ki 0.5 None 10.1021/acsmedchemlett.0c00033
None Unchecked Ratio Ki 9.0 None 10.1016/j.ejmech.2021.113190
None Unchecked Ratio Ki 9.0 None 10.1021/acs.jmedchem.1c00692

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004413 CC(=O)[32S].NCCc1cnc[nH]1>>CC(=O)NCCc1cnc[nH]1 None
AKRT004648 CC(=O)[CoA].NCCc1c[nH]cn1>>CC(=O)NCCc1c[nH]cn1 R02152
AKRT004655 CC(=O)[CoA].NCCc1cnc[nH]1>>CC(=O)NCCc1cnc[nH]1 enzymemap_31302
AKRT007158 CCC(=O)[32S].NCCc1cnc[nH]1>>CCC(=O)NCCc1cnc[nH]1 None
AKRT007186 CCC(=O)[CoA].NCCc1cnc[nH]1>>CCC(=O)NCCc1cnc[nH]1 enzymemap_32411
AKRT007437 CCCC(=O)[CoA].NCCc1c[nH]cn1>>CCCC(=O)NCCc1c[nH]cn1 enzymemap_32399
AKRT007440 CCCC(=O)[CoA].NCCc1cnc[nH]1>>CCCC(=O)NCCc1cnc[nH]1 enzymemap_32399
AKRT007947 CCCCCC(=O)[CoA].NCCc1c[nH]cn1>>CCCCCC(=O)NCCc1c[nH]cn1 enzymemap_32400
AKRT007949 CCCCCC(=O)[CoA].NCCc1cnc[nH]1>>CCCCCC(=O)NCCc1cnc[nH]1 enzymemap_32400
AKRT010813 CN[C@@H](CCC(N)=O)C(C)=O.NCCc1c[nH]cn1>>CN[C@@H](CCC(=O)NCCc1c[nH]cn1)C(C)=O 66564
AKRT012649 C[33S].NCCc1c[nH]cn1>>Cn1cnc(CCN)c1 None
AKRT014657 C[SAH].NCCc1c[nH]cn1>>CNCCc1c[nH]cn1 enzymemap_27791
AKRT014658 C[SAH].NCCc1c[nH]cn1>>Cn1cnc(CCN)c1 HISTAMINE-N-METHYLTRANSFERASE-RXN
AKRT018375 NCCc1c[nH]cn1.N[C@@H](CCC(=O)O)C(=O)O>>N[C@@H](CCC(=O)NCCc1cnc[nH]1)C(=O)O GAMMA-GLUTAMYLHISTAMINE-SYNTHASE-RXN
AKRT018376 NCCc1c[nH]cn1.N[C@@H](CS)C(=O)O>>NCCc1nc[nH]c1S(=O)C[C@H](N)C(=O)O enzymemap_15649
AKRT018377 NCCc1c[nH]cn1>>N=CCc1c[nH]cn1 retrobiocat_750
AKRT018378 NCCc1c[nH]cn1>>O=CCc1c[nH]cn1 RXN-9600
AKRT018379 NCCc1c[nH]cn1>>ONCCc1c[nH]cn1 RXN-19438
AKRT018435 NCCc1cnc[nH]1.N[C@@H](CCC(=O)O)C(=O)O>>N[C@@H](CCC(=O)NCCc1cnc[nH]1)C(=O)O enzymemap_90489
AKRT018436 NCCc1cnc[nH]1>>O=CCc1cnc[nH]1 enzymemap_21945
AKRT018782 N[C@@H](CCC(=O)NCCc1c[nH]cn1)C(=O)O>>NCCc1c[nH]cn1 MNXR134304
AKRT019836 N[C@@H](Cc1c[nH]cn1)C(=O)O>>NCCc1c[nH]cn1 HISTIDINE-DECARBOXYLASE-RXN
AKRT019837 N[C@@H](Cc1c[nH]cn1)C(=O)O>>NCCc1c[nH]cn1.O=C=O None
AKRT020136 N[C@@H](Cc1cnc[nH]1)C(=O)O>>NCCc1cnc[nH]1 enzymemap_81586
AKRT020137 N[C@@H](Cc1cnc[nH]1)C(=O)O>>NCCc1cnc[nH]1.O=C=O None