Compile Data Set for Download or QSAR

Found 629 hits with Last Name = 'isik' and Initial = 's'   

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 9 (Homo sapiens (Human))	BDBM50428850 (CHEMBL2337539) Show SMILES CC(=O)C1=NN(\C(S1)=C(/C#N)C(=O)Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1 |t:3| Show InChI InChI=1S/C19H15N5O4S2/c1-12(25)18-23-24(14-5-3-2-4-6-14)19(29-18)16(11-20)17(26)22-13-7-9-15(10-8-13)30(21,27)28/h2-10H,1H3,(H,22,26)(H2,21,27,28)/b19-16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428841 (CHEMBL2337134) Show SMILES COc1cc(OC)c(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(OC)c1 Show InChI InChI=1S/C19H19N3O6S/c1-26-14-9-17(27-2)16(18(10-14)28-3)8-12(11-20)19(23)22-13-4-6-15(7-5-13)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428844 (CHEMBL2337544) Show SMILES COc1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C17H15N3O4S/c1-24-15-6-2-12(3-7-15)10-13(11-18)17(21)20-14-4-8-16(9-5-14)25(19,22)23/h2-10H,1H3,(H,20,21)(H2,19,22,23)/b13-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428843 (CHEMBL2337132) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc(OC)c1OC Show InChI InChI=1S/C19H19N3O6S/c1-26-16-9-12(10-17(27-2)18(16)28-3)8-13(11-20)19(23)22-14-4-6-15(7-5-14)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b13-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428845 (CHEMBL1594453) Show SMILES COc1ccccc1\C=C(/C#N)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O4S/c1-24-16-5-3-2-4-12(16)10-13(11-18)17(21)20-14-6-8-15(9-7-14)25(19,22)23/h2-10H,1H3,(H,20,21)(H2,19,22,23)/b13-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428850 (CHEMBL2337539) Show SMILES CC(=O)C1=NN(\C(S1)=C(/C#N)C(=O)Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1 |t:3| Show InChI InChI=1S/C19H15N5O4S2/c1-12(25)18-23-24(14-5-3-2-4-6-14)19(29-18)16(11-20)17(26)22-13-7-9-15(10-8-13)30(21,27)28/h2-10H,1H3,(H,22,26)(H2,21,27,28)/b19-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428838 (CHEMBL2337530) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1 Show InChI InChI=1S/C16H13N3O5S/c17-9-11(7-10-1-6-14(20)15(21)8-10)16(22)19-12-2-4-13(5-3-12)25(18,23)24/h1-8,20-21H,(H,19,22)(H2,18,23,24)/b11-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428837 (CHEMBL2337531) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(O)cc2)\C#N)cc1 Show InChI InChI=1S/C16H13N3O4S/c17-10-12(9-11-1-5-14(20)6-2-11)16(21)19-13-3-7-15(8-4-13)24(18,22)23/h1-9,20H,(H,19,21)(H2,18,22,23)/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428846 (CHEMBL2337543) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(cc2)[N+]([O-])=O)\C#N)cc1 Show InChI InChI=1S/C16H12N4O5S/c17-10-12(9-11-1-5-14(6-2-11)20(22)23)16(21)19-13-3-7-15(8-4-13)26(18,24)25/h1-9H,(H,19,21)(H2,18,24,25)/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428837 (CHEMBL2337531) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(O)cc2)\C#N)cc1 Show InChI InChI=1S/C16H13N3O4S/c17-10-12(9-11-1-5-14(20)6-2-11)16(21)19-13-3-7-15(8-4-13)24(18,22)23/h1-9,20H,(H,19,21)(H2,18,22,23)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428842 (CHEMBL2337133) Show SMILES COc1cc(OC)c(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC Show InChI InChI=1S/C19H19N3O6S/c1-26-16-10-18(28-3)17(27-2)9-12(16)8-13(11-20)19(23)22-14-4-6-15(7-5-14)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b13-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428849 (CHEMBL2337540) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CC#N)cc1 Show InChI InChI=1S/C9H9N3O3S/c10-6-5-9(13)12-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5H2,(H,12,13)(H2,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428847 (CHEMBL2337542) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(Cl)cc2Cl)\C#N)cc1 Show InChI InChI=1S/C16H11Cl2N3O3S/c17-12-2-1-10(15(18)8-12)7-11(9-19)16(22)21-13-3-5-14(6-4-13)25(20,23)24/h1-8H,(H,21,22)(H2,20,23,24)/b11-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50067987 (CHEMBL3400811) Show SMILES [K+].CC(C)(C)C(=O)NC1CCCN(C1)C([S-])=S Show InChI InChI=1S/C11H20N2OS2/c1-11(2,3)9(14)12-8-5-4-6-13(7-8)10(15)16/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428844 (CHEMBL2337544) Show SMILES COc1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C17H15N3O4S/c1-24-15-6-2-12(3-7-15)10-13(11-18)17(21)20-14-4-8-16(9-5-14)25(19,22)23/h2-10H,1H3,(H,20,21)(H2,19,22,23)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428848 (CHEMBL2337541) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccccc2Cl)\C#N)cc1 Show InChI InChI=1S/C16H12ClN3O3S/c17-15-4-2-1-3-11(15)9-12(10-18)16(21)20-13-5-7-14(8-6-13)24(19,22)23/h1-9H,(H,20,21)(H2,19,22,23)/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50304157 (3-(2-Thienyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydr...) Show SMILES NC(=S)N1N=C2CCCCC2C1c1cccs1 |t:4| Show InChI InChI=1S/C12H15N3S2/c13-12(16)15-11(10-6-3-7-17-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically				Bioorg Med Chem 17: 6761-72 (2009) Article DOI: 10.1016/j.bmc.2009.07.033 BindingDB Entry DOI: 10.7270/Q2TQ61M2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50067992 (CHEMBL3400816) Show SMILES [Na+].NS(=O)(=O)c1ccc(CCNC([S-])=S)cc1 Show InChI InChI=1S/C9H12N2O2S3/c10-16(12,13)8-3-1-7(2-4-8)5-6-11-9(14)15/h1-4H,5-6H2,(H2,10,12,13)(H2,11,14,15)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50067994 (CHEMBL3400798) Show SMILES [K+].OCCCNC([S-])=S Show InChI InChI=1S/C4H9NOS2/c6-3-1-2-5-4(7)8/h6H,1-3H2,(H2,5,7,8)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50067948 (CHEMBL3400804) Show SMILES [K+].[S-]C(=S)N1CCCCC1 Show InChI InChI=1S/C6H11NS2/c8-6(9)7-4-2-1-3-5-7/h1-5H2,(H,8,9)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428836 (CHEMBL2337532) Show SMILES CN(C)c1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H18N4O3S/c1-22(2)16-7-3-13(4-8-16)11-14(12-19)18(23)21-15-5-9-17(10-6-15)26(20,24)25/h3-11H,1-2H3,(H,21,23)(H2,20,24,25)/b14-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428846 (CHEMBL2337543) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(cc2)[N+]([O-])=O)\C#N)cc1 Show InChI InChI=1S/C16H12N4O5S/c17-10-12(9-11-1-5-14(6-2-11)20(22)23)16(21)19-13-3-7-15(8-4-13)26(18,24)25/h1-9H,(H,19,21)(H2,18,24,25)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50304152 (3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-...) Show SMILES NC(=S)N1N=C2CCCCC2C1c1ccco1 |t:4| Show InChI InChI=1S/C12H15N3OS/c13-12(17)15-11(10-6-3-7-16-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically				Bioorg Med Chem 17: 6761-72 (2009) Article DOI: 10.1016/j.bmc.2009.07.033 BindingDB Entry DOI: 10.7270/Q2TQ61M2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428842 (CHEMBL2337133) Show SMILES COc1cc(OC)c(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC Show InChI InChI=1S/C19H19N3O6S/c1-26-16-10-18(28-3)17(27-2)9-12(16)8-13(11-20)19(23)22-14-4-6-15(7-5-14)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50067995 (CHEMBL3400799) Show SMILES [K+].OCCCCNC([S-])=S Show InChI InChI=1S/C5H11NOS2/c7-4-2-1-3-6-5(8)9/h7H,1-4H2,(H2,6,8,9)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50067987 (CHEMBL3400811) Show SMILES [K+].CC(C)(C)C(=O)NC1CCCN(C1)C([S-])=S Show InChI InChI=1S/C11H20N2OS2/c1-11(2,3)9(14)12-8-5-4-6-13(7-8)10(15)16/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 17: 1158-63 (2009) Article DOI: 10.1016/j.bmc.2008.12.035 BindingDB Entry DOI: 10.7270/Q2FB53WW
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428838 (CHEMBL2337530) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1 Show InChI InChI=1S/C16H13N3O5S/c17-9-11(7-10-1-6-14(20)15(21)8-10)16(22)19-12-2-4-13(5-3-12)25(18,23)24/h1-8,20-21H,(H,19,22)(H2,18,23,24)/b11-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428840 (CHEMBL2337528) Show SMILES COc1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC Show InChI InChI=1S/C18H17N3O5S/c1-25-16-8-3-12(10-17(16)26-2)9-13(11-19)18(22)21-14-4-6-15(7-5-14)27(20,23)24/h3-10H,1-2H3,(H,21,22)(H2,20,23,24)/b13-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428835 (CHEMBL2337533) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\C=C\c2ccccc2)\C#N)cc1 Show InChI InChI=1S/C18H15N3O3S/c19-13-15(8-4-7-14-5-2-1-3-6-14)18(22)21-16-9-11-17(12-10-16)25(20,23)24/h1-12H,(H,21,22)(H2,20,23,24)/b7-4+,15-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50067996 (CHEMBL3400800) Show SMILES [Na+].OCCCCCNC([S-])=S Show InChI InChI=1S/C6H13NOS2/c8-5-3-1-2-4-7-6(9)10/h8H,1-5H2,(H2,7,9,10)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428833 (CHEMBL2337534) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2cccs2)\C#N)cc1 Show InChI InChI=1S/C14H11N3O3S2/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 17: 1158-63 (2009) Article DOI: 10.1016/j.bmc.2008.12.035 BindingDB Entry DOI: 10.7270/Q2FB53WW
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428836 (CHEMBL2337532) Show SMILES CN(C)c1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H18N4O3S/c1-22(2)16-7-3-13(4-8-16)11-14(12-19)18(23)21-15-5-9-17(10-6-15)26(20,24)25/h3-11H,1-2H3,(H,21,23)(H2,20,24,25)/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428830 (CHEMBL2337537) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(N=Nc2ccccc2)C#N)cc1 |w:12.11| Show InChI InChI=1S/C15H13N5O3S/c16-10-14(20-19-12-4-2-1-3-5-12)15(21)18-11-6-8-13(9-7-11)24(17,22)23/h1-9,14H,(H,18,21)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428833 (CHEMBL2337534) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2cccs2)\C#N)cc1 Show InChI InChI=1S/C14H11N3O3S2/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50067992 (CHEMBL3400816) Show SMILES [Na+].NS(=O)(=O)c1ccc(CCNC([S-])=S)cc1 Show InChI InChI=1S/C9H12N2O2S3/c10-16(12,13)8-3-1-7(2-4-8)5-6-11-9(14)15/h1-4H,5-6H2,(H2,10,12,13)(H2,11,14,15)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428838 (CHEMBL2337530) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1 Show InChI InChI=1S/C16H13N3O5S/c17-9-11(7-10-1-6-14(20)15(21)8-10)16(22)19-12-2-4-13(5-3-12)25(18,23)24/h1-8,20-21H,(H,19,22)(H2,18,23,24)/b11-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50304156 (3-(2-Furyl)-2-(N-phenyllthiocarbamoyl)-3,3a,4,5,6,...) Show SMILES S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1ccco1 |t:11| Show InChI InChI=1S/C18H19N3OS/c23-18(19-13-7-2-1-3-8-13)21-17(16-11-6-12-22-16)14-9-4-5-10-15(14)20-21/h1-3,6-8,11-12,14,17H,4-5,9-10H2,(H,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically				Bioorg Med Chem 17: 6761-72 (2009) Article DOI: 10.1016/j.bmc.2009.07.033 BindingDB Entry DOI: 10.7270/Q2TQ61M2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428834 (CHEMBL1347917) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccco2)\C#N)cc1 Show InChI InChI=1S/C14H11N3O4S/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50067996 (CHEMBL3400800) Show SMILES [Na+].OCCCCCNC([S-])=S Show InChI InChI=1S/C6H13NOS2/c8-5-3-1-2-4-7-6(9)10/h8H,1-5H2,(H2,7,9,10)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428835 (CHEMBL2337533) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\C=C\c2ccccc2)\C#N)cc1 Show InChI InChI=1S/C18H15N3O3S/c19-13-15(8-4-7-14-5-2-1-3-6-14)18(22)21-16-9-11-17(12-10-16)25(20,23)24/h1-12H,(H,21,22)(H2,20,23,24)/b7-4+,15-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428839 (CHEMBL2337529) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)ccc1O Show InChI InChI=1S/C17H15N3O5S/c1-25-16-9-11(2-7-15(16)21)8-12(10-18)17(22)20-13-3-5-14(6-4-13)26(19,23)24/h2-9,21H,1H3,(H,20,22)(H2,19,23,24)/b12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428849 (CHEMBL2337540) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CC#N)cc1 Show InChI InChI=1S/C9H9N3O3S/c10-6-5-9(13)12-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5H2,(H,12,13)(H2,11,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50428833 (CHEMBL2337534) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2cccs2)\C#N)cc1 Show InChI InChI=1S/C14H11N3O3S2/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428846 (CHEMBL2337543) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(cc2)[N+]([O-])=O)\C#N)cc1 Show InChI InChI=1S/C16H12N4O5S/c17-10-12(9-11-1-5-14(6-2-11)20(22)23)16(21)19-13-3-7-15(8-4-13)26(18,24)25/h1-9H,(H,19,21)(H2,18,24,25)/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428839 (CHEMBL2337529) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)ccc1O Show InChI InChI=1S/C17H15N3O5S/c1-25-16-9-11(2-7-15(16)21)8-12(10-18)17(22)20-13-3-5-14(6-4-13)26(19,23)24/h2-9,21H,1H3,(H,20,22)(H2,19,23,24)/b12-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428834 (CHEMBL1347917) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccco2)\C#N)cc1 Show InChI InChI=1S/C14H11N3O4S/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	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 MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents	Article PubMed	5.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically				Bioorg Med Chem 17: 6761-72 (2009) Article DOI: 10.1016/j.bmc.2009.07.033 BindingDB Entry DOI: 10.7270/Q2TQ61M2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (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	PDB Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay				Bioorg Med Chem 21: 1386-91 (2013) Article DOI: 10.1016/j.bmc.2012.12.037 BindingDB Entry DOI: 10.7270/Q2474C61
					More data for this Ligand-Target Pair				3D Structure (crystal)

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