Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50038504   

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))	BDBM50377330 (CHEMBL257832) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C23H32N5O5S3/c1-22(2)13-18(14-23(3,4)28(22)29)27-21(34)26-17-7-11-20(12-8-17)36(32,33)25-15-16-5-9-19(10-6-16)35(24,30)31/h5-12,18,25H,13-15H2,1-4H3,(H2,24,30,31)(H2,26,27,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	8	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 Article PubMed	12	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50377332 (CHEMBL436648) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1Cl)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C16H24ClN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50377332 (CHEMBL436648) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1Cl)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C16H24ClN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	15	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50377330 (CHEMBL257832) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C23H32N5O5S3/c1-22(2)13-18(14-23(3,4)28(22)29)27-21(34)26-17-7-11-20(12-8-17)36(32,33)25-15-16-5-9-19(10-6-16)35(24,30)31/h5-12,18,25H,13-15H2,1-4H3,(H2,24,30,31)(H2,26,27,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50377333 (CHEMBL404221) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1F)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C16H24FN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	24	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
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	Article PubMed	25	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	27	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50377334 (CHEMBL257386) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)NCCc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C18H29N4O3S2/c1-17(2)11-14(12-18(3,4)22(17)23)21-16(26)20-10-9-13-5-7-15(8-6-13)27(19,24)25/h5-8,14H,9-12H2,1-4H3,(H2,19,24,25)(H2,20,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	28	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50377336 (CHEMBL439243) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C22H30N5O5S3/c1-21(2)13-17(14-22(3,4)27(21)28)25-20(33)24-15-5-11-19(12-6-15)35(31,32)26-16-7-9-18(10-8-16)34(23,29)30/h5-12,17,26H,13-14H2,1-4H3,(H2,23,29,30)(H2,24,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	31	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50377329 (CHEMBL256303) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C24H34N5O5S3/c1-23(2)15-19(16-24(3,4)29(23)30)28-22(35)27-18-7-11-21(12-8-18)37(33,34)26-14-13-17-5-9-20(10-6-17)36(25,31)32/h5-12,19,26H,13-16H2,1-4H3,(H2,25,31,32)(H2,27,28,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	34	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50377335 (CHEMBL403152) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)NCc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C17H27N4O3S2/c1-16(2)9-13(10-17(3,4)21(16)22)20-15(25)19-11-12-5-7-14(8-6-12)26(18,23)24/h5-8,13H,9-11H2,1-4H3,(H2,18,23,24)(H2,19,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	35	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50377333 (CHEMBL404221) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1F)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C16H24FN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10883 (4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...) Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)	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	DrugBank MMDB PDB Article PubMed	38	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50377334 (CHEMBL257386) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)NCCc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C18H29N4O3S2/c1-17(2)11-14(12-18(3,4)22(17)23)21-16(26)20-10-9-13-5-7-15(8-6-13)27(19,24)25/h5-8,14H,9-12H2,1-4H3,(H2,19,24,25)(H2,20,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50377329 (CHEMBL256303) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C24H34N5O5S3/c1-23(2)15-19(16-24(3,4)29(23)30)28-22(35)27-18-7-11-21(12-8-18)37(33,34)26-14-13-17-5-9-20(10-6-17)36(25,31)32/h5-12,19,26H,13-16H2,1-4H3,(H2,25,31,32)(H2,27,28,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50377328 (CHEMBL257163) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C16H25N4O3S2/c1-15(2)9-12(10-16(3,4)20(15)21)19-14(24)18-11-5-7-13(8-6-11)25(17,22)23/h5-8,12H,9-10H2,1-4H3,(H2,17,22,23)(H2,18,19,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50377328 (CHEMBL257163) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C16H25N4O3S2/c1-15(2)9-12(10-16(3,4)20(15)21)19-14(24)18-11-5-7-13(8-6-11)25(17,22)23/h5-8,12H,9-10H2,1-4H3,(H2,17,22,23)(H2,18,19,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50377335 (CHEMBL403152) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)NCc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C17H27N4O3S2/c1-16(2)9-13(10-17(3,4)21(16)22)20-15(25)19-11-12-5-7-14(8-6-12)26(18,23)24/h5-8,13H,9-11H2,1-4H3,(H2,18,23,24)(H2,19,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	42	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50377336 (CHEMBL439243) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C22H30N5O5S3/c1-21(2)13-17(14-22(3,4)27(21)28)25-20(33)24-15-5-11-19(12-6-15)35(31,32)26-16-7-9-18(10-8-16)34(23,29)30/h5-12,17,26H,13-14H2,1-4H3,(H2,23,29,30)(H2,24,25,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10883 (4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...) Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)	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	Article PubMed	50	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50377330 (CHEMBL257832) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C23H32N5O5S3/c1-22(2)13-18(14-23(3,4)28(22)29)27-21(34)26-17-7-11-20(12-8-17)36(32,33)25-15-16-5-9-19(10-6-16)35(24,30)31/h5-12,18,25H,13-15H2,1-4H3,(H2,24,30,31)(H2,26,27,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50377332 (CHEMBL436648) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1Cl)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C16H24ClN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	128	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50377337 (CHEMBL255710) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1cccc(c1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C16H25N4O3S2/c1-15(2)9-12(10-16(3,4)20(15)21)19-14(24)18-11-6-5-7-13(8-11)25(17,22)23/h5-8,12H,9-10H2,1-4H3,(H2,17,22,23)(H2,18,19,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	132	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50377331 (CHEMBL257192) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C22H30N5O5S3/c1-21(2)13-17(14-22(3,4)27(21)28)25-20(33)24-15-8-10-18(11-9-15)35(31,32)26-16-6-5-7-19(12-16)34(23,29)30/h5-12,17,26H,13-14H2,1-4H3,(H2,23,29,30)(H2,24,25,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	152	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50377337 (CHEMBL255710) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1cccc(c1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C16H25N4O3S2/c1-15(2)9-12(10-16(3,4)20(15)21)19-14(24)18-11-6-5-7-13(8-11)25(17,22)23/h5-8,12H,9-10H2,1-4H3,(H2,17,22,23)(H2,18,19,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	165	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 2 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50377329 (CHEMBL256303) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C24H34N5O5S3/c1-23(2)15-19(16-24(3,4)29(23)30)28-22(35)27-18-7-11-21(12-8-18)37(33,34)26-14-13-17-5-9-20(10-6-17)36(25,31)32/h5-12,19,26H,13-16H2,1-4H3,(H2,25,31,32)(H2,27,28,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50377328 (CHEMBL257163) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C16H25N4O3S2/c1-15(2)9-12(10-16(3,4)20(15)21)19-14(24)18-11-5-7-13(8-6-11)25(17,22)23/h5-8,12H,9-10H2,1-4H3,(H2,17,22,23)(H2,18,19,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	179	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50377334 (CHEMBL257386) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)NCCc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C18H29N4O3S2/c1-17(2)11-14(12-18(3,4)22(17)23)21-16(26)20-10-9-13-5-7-15(8-6-13)27(19,24)25/h5-8,14H,9-12H2,1-4H3,(H2,19,24,25)(H2,20,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	182	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50377335 (CHEMBL403152) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)NCc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C17H27N4O3S2/c1-16(2)9-13(10-17(3,4)21(16)22)20-15(25)19-11-12-5-7-14(8-6-12)26(18,23)24/h5-8,13H,9-11H2,1-4H3,(H2,18,23,24)(H2,19,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	204	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50377331 (CHEMBL257192) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C22H30N5O5S3/c1-21(2)13-17(14-22(3,4)27(21)28)25-20(33)24-15-8-10-18(11-9-15)35(31,32)26-16-6-5-7-19(12-16)34(23,29)30/h5-12,17,26H,13-14H2,1-4H3,(H2,23,29,30)(H2,24,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	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 cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50377333 (CHEMBL404221) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1F)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C16H24FN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	233	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50377336 (CHEMBL439243) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C22H30N5O5S3/c1-21(2)13-17(14-22(3,4)27(21)28)25-20(33)24-15-5-11-19(12-6-15)35(31,32)26-16-7-9-18(10-8-16)34(23,29)30/h5-12,17,26H,13-14H2,1-4H3,(H2,23,29,30)(H2,24,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	365	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	780	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50377331 (CHEMBL257192) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C22H30N5O5S3/c1-21(2)13-17(14-22(3,4)27(21)28)25-20(33)24-15-8-10-18(11-9-15)35(31,32)26-16-6-5-7-19(12-16)34(23,29)30/h5-12,17,26H,13-14H2,1-4H3,(H2,23,29,30)(H2,24,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	784	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					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 Article PubMed	900	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10883 (4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...) Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)	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	DrugBank Article PubMed	1.20E+3	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50377337 (CHEMBL255710) Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1cccc(c1)S(N)(=O)=O |^1:10| Show InChI InChI=1S/C16H25N4O3S2/c1-15(2)9-12(10-16(3,4)20(15)21)19-14(24)18-11-6-5-7-13(8-11)25(17,22)23/h5-8,12H,9-10H2,1-4H3,(H2,17,22,23)(H2,18,19,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.07E+3	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 1 by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 18: 3475-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.051 BindingDB Entry DOI: 10.7270/Q2HH6KZ9
					More data for this Ligand-Target Pair