Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'soliman' and Initial = 'me'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612155 (CHEMBL5288797) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(O)cc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612159 (CHEMBL5266341) Show SMILES CC(C)Oc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612156 (CHEMBL5288389) Show SMILES COc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612160 (CHEMBL5289467) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(OCCO)cc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612154 (CHEMBL5286350) Show SMILES CC(=O)Oc1ccc2OC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)CC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485187 (CHEMBL2035872) Show SMILES O[C@H]([C@@H](O)C(OCc1ccccc1)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)C(OCc1ccccc1)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O |r| Show InChI InChI=1S/C38H40N2O8/c41-31-27-17-9-7-15-25(27)19-29(31)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-30-20-26-16-8-10-18-28(26)32(30)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30-,31+,32+,33-,34-,35?,36?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612152 (CHEMBL5279810) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2cc(OCCO)ccc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612158 (CHEMBL5273629) Show SMILES CCCOc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612166 (CHEMBL5284402) Show SMILES COc1ccc2OC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)CC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612159 (CHEMBL5266341) Show SMILES CC(C)Oc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612155 (CHEMBL5288797) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(O)cc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612160 (CHEMBL5289467) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(OCCO)cc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612156 (CHEMBL5288389) Show SMILES COc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612157 (CHEMBL5265873) Show SMILES CCOc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612158 (CHEMBL5273629) Show SMILES CCCOc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612163 (CHEMBL5268744) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2cc(Br)ccc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612161 (CHEMBL5273801) Show SMILES COCCOc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612163 (CHEMBL5268744) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2cc(Br)ccc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612161 (CHEMBL5273801) Show SMILES COCCOc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15613 (4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...) Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50612159 (CHEMBL5266341) Show SMILES CC(C)Oc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612164 (CHEMBL5285561) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccccc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612167 (CHEMBL5276437) Show SMILES CCOc1ccc2OC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)CC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50612161 (CHEMBL5273801) Show SMILES COCCOc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612166 (CHEMBL5284402) Show SMILES COc1ccc2OC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)CC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50612160 (CHEMBL5289467) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(OCCO)cc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612152 (CHEMBL5279810) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2cc(OCCO)ccc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612157 (CHEMBL5265873) Show SMILES CCOc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612165 (CHEMBL5278830) Show SMILES Cc1ccc2OC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)CC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612162 (CHEMBL5280008) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(Br)cc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612154 (CHEMBL5286350) Show SMILES CC(=O)Oc1ccc2OC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)CC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612153 (CHEMBL5275945) Show SMILES COCCOc1ccc2OC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)CC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612169 (CHEMBL5290815) Show SMILES CC(C)Oc1ccc2OC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)CC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50612168 (CHEMBL5268000) Show SMILES CCCOc1ccc2OC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)CC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50612160 (CHEMBL5289467) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(OCCO)cc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50612159 (CHEMBL5266341) Show SMILES CC(C)Oc1ccc2C(=O)CC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)Oc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50612154 (CHEMBL5286350) Show SMILES CC(=O)Oc1ccc2OC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)CC(=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Genome polyprotein (West Nile virus)	BDBM50030459 (CHEMBL3344321) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CC[C@@H](CC1)NC(N)=N |r,wU:34.38,9.9,wD:31.31,5.4,(16.97,-13.05,;16.9,-11.52,;15.54,-10.81,;15.47,-9.27,;14.11,-8.56,;14.04,-7.02,;12.68,-6.3,;11.38,-7.13,;11.44,-8.67,;10.01,-6.42,;9.94,-4.88,;11.24,-4.05,;11.18,-2.52,;12.48,-1.69,;12.42,-.15,;8.71,-7.24,;7.38,-6.48,;7.37,-4.94,;6.05,-7.25,;4.72,-6.48,;4.71,-4.94,;3.38,-4.17,;2.05,-4.94,;.72,-4.17,;2.05,-6.48,;.72,-7.25,;3.38,-7.25,;15.34,-6.19,;15.28,-4.65,;16.7,-6.9,;18.02,-6.09,;19.38,-6.82,;19.42,-8.36,;20.78,-9.09,;22.1,-8.27,;22.05,-6.73,;20.68,-6,;23.46,-9,;24.77,-8.18,;24.72,-6.65,;26.13,-8.91,)| Show InChI InChI=1S/C28H46Cl2N8O3/c29-21-12-9-19(15-22(21)30)16-25(39)37-24(6-2-4-14-32)27(41)38-23(5-1-3-13-31)26(40)35-17-18-7-10-20(11-8-18)36-28(33)34/h9,12,15,18,20,23-24H,1-8,10-11,13-14,16-17,31-32H2,(H,35,40)(H,37,39)(H,38,41)(H4,33,34,36)/t18-,20-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of West Nile virus NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50420209 (CHEMBL91153) Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612162 (CHEMBL5280008) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(Br)cc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50612163 (CHEMBL5268744) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2cc(Br)ccc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50011421 (2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50612164 (CHEMBL5285561) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccccc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50612155 (CHEMBL5288797) Show SMILES NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(O)cc2O3)c(c1)[N+]([O-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50612168 (CHEMBL5268000) Show SMILES CCCOc1ccc2OC3(CCN(CC3)c3ccc(cc3[N+]([O-])=O)S(N)(=O)=O)CC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		291	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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