Compile Data Set for Download or QSAR

Found 126 hits Enz. Inhib. hit(s) with all data for entry = 50049248   

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))	BDBM50237495 (CHEMBL4092504) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cccc(F)c1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)10-13-6-8-14(9-7-13)15-4-3-5-16(20)11-15/h3-9,11H,10H2,1-2H3,(H2,21,25,26)	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	0.900	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237365 (CHEMBL4090611) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O3S2/c1-13-18(27(20,24)25)26-19(21-13)22(2)17(23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	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 recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237365 (CHEMBL4090611) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O3S2/c1-13-18(27(20,24)25)26-19(21-13)22(2)17(23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,20,24,25)	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	0.900	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237363 (CHEMBL4100366) Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H20N4O3S2/c1-3-15-18(28(20,25)26)27-19(22-15)23(2)17(24)12-13-7-9-14(10-8-13)16-6-4-5-11-21-16/h4-11H,3,12H2,1-2H3,(H2,20,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	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 recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237369 (CHEMBL4084758) Show SMILES Cc1nc(sc1S(N)(=O)=O)N(C1CC1)C(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S2/c1-14-20(29(22,26)27)28-21(23-14)24(18-11-12-18)19(25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3,(H2,22,26,27)	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	1	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50237369 (CHEMBL4084758) Show SMILES Cc1nc(sc1S(N)(=O)=O)N(C1CC1)C(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S2/c1-14-20(29(22,26)27)28-21(23-14)24(18-11-12-18)19(25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	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 Dexamethasone binding to Glucocorticoid receptor				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50237372 (CHEMBL4089153) Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H20FN3O4S2/c1-12-19(30(22,26)27)29-20(23-12)24(2)17(25)11-13-7-9-14(10-8-13)15-5-4-6-16(21)18(15)28-3/h4-10H,11H2,1-3H3,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20	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 Compound was tested for inhibition of [3H]5-HT binding to Serotonin transporter in HEK cells				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50237365 (CHEMBL4090611) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O3S2/c1-13-18(27(20,24)25)26-19(21-13)22(2)17(23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	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 recombinant human Carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237370 (CHEMBL4071722) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1F)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20/h3-10H,11H2,1-2H3,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	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 recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50237495 (CHEMBL4092504) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cccc(F)c1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)10-13-6-8-14(9-7-13)15-4-3-5-16(20)11-15/h3-9,11H,10H2,1-2H3,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	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 recombinant human Carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human Carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237370 (CHEMBL4071722) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1F)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20/h3-10H,11H2,1-2H3,(H2,21,25,26)	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	10	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237364 (CHEMBL4073528) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(CO)c(s1)S(N)(=O)=O Show InChI InChI=1S/C18H18N4O4S2/c1-22(18-21-15(11-23)17(27-18)28(19,25)26)16(24)10-12-5-7-13(8-6-12)14-4-2-3-9-20-14/h2-9,23H,10-11H2,1H3,(H2,19,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	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 recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
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 recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237366 (CHEMBL4069597) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	13	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 recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237366 (CHEMBL4069597) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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 recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237361 (CHEMBL4102820) Show SMILES CNS(=O)(=O)c1sc(nc1C)N(CCN(C)C)C(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H28N4O3S2/c1-17-22(32(29,30)24-2)31-23(25-17)27(15-14-26(3)4)21(28)16-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,24H,14-16H2,1-4H3	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	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237496 (CHEMBL4100256) Show SMILES CC([O-])=O.CN(C(=O)Cc1ccc(cc1)-c1cccc[n+]1C)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H21N4O3S2/c1-13-18(28(20,25)26)27-19(21-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-22(16)2/h4-11H,12H2,1-3H3,(H2,20,25,26)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	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 recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237372 (CHEMBL4089153) Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H20FN3O4S2/c1-12-19(30(22,26)27)29-20(23-12)24(2)17(25)11-13-7-9-14(10-8-13)15-5-4-6-16(21)18(15)28-3/h4-10H,11H2,1-3H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237498 (CHEMBL4063105) Show SMILES CN(C)CCN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C22H26N4O3S2/c1-16-21(31(23,28)29)30-22(24-16)26(14-13-25(2)3)20(27)15-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H2,23,28,29)	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	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50237363 (CHEMBL4100366) Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H20N4O3S2/c1-3-15-18(28(20,25)26)27-19(22-15)23(2)17(24)12-13-7-9-14(10-8-13)16-6-4-5-11-21-16/h4-11H,3,12H2,1-2H3,(H2,20,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 Intracellular levels of cAMP in HEK 293 cells expressing human melanocortin 4 receptor (hMC4R)				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237360 (CHEMBL4084865) Show SMILES Cl.CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H20N4O3S2/c1-13-18(28(25,26)20-2)27-19(22-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16/h4-11,20H,12H2,1-3H3	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	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237373 (CHEMBL4095061) Show SMILES CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C20H20FN3O3S2/c1-13-19(29(26,27)22-2)28-20(23-13)24(3)18(25)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)21/h4-11,22H,12H2,1-3H3	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	26	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50237362 (CHEMBL4064934) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NCCO Show InChI InChI=1S/C21H23N3O4S2/c1-15-20(30(27,28)22-12-13-25)29-21(23-15)24(2)19(26)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,22,25H,12-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 recombinant human Carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50237365 (CHEMBL4090611) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O3S2/c1-13-18(27(20,24)25)26-19(21-13)22(2)17(23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,20,24,25)	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	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 recombinant human Carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237363 (CHEMBL4100366) Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H20N4O3S2/c1-3-15-18(28(20,25)26)27-19(22-15)23(2)17(24)12-13-7-9-14(10-8-13)16-6-4-5-11-21-16/h4-11H,3,12H2,1-2H3,(H2,20,25,26)	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	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237498 (CHEMBL4063105) Show SMILES CN(C)CCN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C22H26N4O3S2/c1-16-21(31(23,28)29)30-22(24-16)26(14-13-25(2)3)20(27)15-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H2,23,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	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 recombinant human Carbonic anhydrase 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50237368 (CHEMBL4062048) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cnccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C17H17N5O3S2/c1-11-16(27(18,24)25)26-17(21-11)22(2)15(23)9-12-3-5-13(6-4-12)14-10-19-7-8-20-14/h3-8,10H,9H2,1-2H3,(H2,18,24,25)	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	29	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 recombinant human Carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50237494 (CHEMBL4092630) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NC1CC1 Show InChI InChI=1S/C22H23N3O3S2/c1-15-21(30(27,28)24-19-12-13-19)29-22(23-15)25(2)20(26)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,19,24H,12-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	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 recombinant human Carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237367 (CHEMBL4090091) Show SMILES CN(C(=O)Cc1ccc(cc1)-n1cccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C16H17N5O3S2/c1-11-15(26(17,23)24)25-16(19-11)20(2)14(22)10-12-4-6-13(7-5-12)21-9-3-8-18-21/h3-9H,10H2,1-2H3,(H2,17,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	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 recombinant human Carbonic anhydrase 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50237361 (CHEMBL4102820) Show SMILES CNS(=O)(=O)c1sc(nc1C)N(CCN(C)C)C(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H28N4O3S2/c1-17-22(32(29,30)24-2)31-23(25-17)27(15-14-26(3)4)21(28)16-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,24H,14-16H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 recombinant human Carbonic anhydrase 5B assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237372 (CHEMBL4089153) Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H20FN3O4S2/c1-12-19(30(22,26)27)29-20(23-12)24(2)17(25)11-13-7-9-14(10-8-13)15-5-4-6-16(21)18(15)28-3/h4-10H,11H2,1-3H3,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237373 (CHEMBL4095061) Show SMILES CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C20H20FN3O3S2/c1-13-19(29(26,27)22-2)28-20(23-13)24(3)18(25)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)21/h4-11,22H,12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 recombinant human Carbonic anhydrase 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237367 (CHEMBL4090091) Show SMILES CN(C(=O)Cc1ccc(cc1)-n1cccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C16H17N5O3S2/c1-11-15(26(17,23)24)25-16(19-11)20(2)14(22)10-12-4-6-13(7-5-12)21-9-3-8-18-21/h3-9H,10H2,1-2H3,(H2,17,23,24)	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	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50237494 (CHEMBL4092630) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NC1CC1 Show InChI InChI=1S/C22H23N3O3S2/c1-15-21(30(27,28)24-19-12-13-19)29-22(23-15)25(2)20(26)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,19,24H,12-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 recombinant human Carbonic anhydrase 5B assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50237495 (CHEMBL4092504) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cccc(F)c1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)10-13-6-8-14(9-7-13)15-4-3-5-16(20)11-15/h3-9,11H,10H2,1-2H3,(H2,21,25,26)	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	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 recombinant human Carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237372 (CHEMBL4089153) Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H20FN3O4S2/c1-12-19(30(22,26)27)29-20(23-12)24(2)17(25)11-13-7-9-14(10-8-13)15-5-4-6-16(21)18(15)28-3/h4-10H,11H2,1-3H3,(H2,22,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 recombinant human Carbonic anhydrase 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50237496 (CHEMBL4100256) Show SMILES CC([O-])=O.CN(C(=O)Cc1ccc(cc1)-c1cccc[n+]1C)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H21N4O3S2/c1-13-18(28(20,25)26)27-19(21-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-22(16)2/h4-11H,12H2,1-3H3,(H2,20,25,26)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 recombinant human Carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50237360 (CHEMBL4084865) Show SMILES Cl.CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H20N4O3S2/c1-13-18(28(25,26)20-2)27-19(22-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16/h4-11,20H,12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 recombinant human Carbonic anhydrase 5B assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237494 (CHEMBL4092630) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NC1CC1 Show InChI InChI=1S/C22H23N3O3S2/c1-15-21(30(27,28)24-19-12-13-19)29-22(23-15)25(2)20(26)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,19,24H,12-14H2,1-2H3	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	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237497 (CHEMBL4074597) Show SMILES CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O3S2/c1-14-19(28(25,26)21-2)27-20(22-14)23(3)18(24)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,21H,13H2,1-3H3	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	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50237364 (CHEMBL4073528) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(CO)c(s1)S(N)(=O)=O Show InChI InChI=1S/C18H18N4O4S2/c1-22(18-21-15(11-23)17(27-18)28(19,25)26)16(24)10-12-5-7-13(8-6-12)14-4-2-3-9-20-14/h2-9,23H,10-11H2,1H3,(H2,19,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	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 recombinant human Carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237364 (CHEMBL4073528) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(CO)c(s1)S(N)(=O)=O Show InChI InChI=1S/C18H18N4O4S2/c1-22(18-21-15(11-23)17(27-18)28(19,25)26)16(24)10-12-5-7-13(8-6-12)14-4-2-3-9-20-14/h2-9,23H,10-11H2,1H3,(H2,19,25,26)	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	43	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50237360 (CHEMBL4084865) Show SMILES Cl.CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H20N4O3S2/c1-13-18(28(25,26)20-2)27-19(22-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16/h4-11,20H,12H2,1-3H3	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	44	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 Induced [Ca2+] influx in Vanilloid receptor subtype 1 expressing HEK 293 cells				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237362 (CHEMBL4064934) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NCCO Show InChI InChI=1S/C21H23N3O4S2/c1-15-20(30(27,28)22-12-13-25)29-21(23-15)24(2)19(26)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,22,25H,12-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	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 recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50237368 (CHEMBL4062048) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cnccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C17H17N5O3S2/c1-11-16(27(18,24)25)26-17(21-11)22(2)15(23)9-12-3-5-13(6-4-12)14-10-19-7-8-20-14/h3-8,10H,9H2,1-2H3,(H2,18,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	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 recombinant human Carbonic anhydrase 5B assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50237370 (CHEMBL4071722) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1F)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20/h3-10H,11H2,1-2H3,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 recombinant human Carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50237497 (CHEMBL4074597) Show SMILES CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O3S2/c1-14-19(28(25,26)21-2)27-20(22-14)23(3)18(24)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,21H,13H2,1-3H3	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	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 recombinant human Carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50237498 (CHEMBL4063105) Show SMILES CN(C)CCN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C22H26N4O3S2/c1-16-21(31(23,28)29)30-22(24-16)26(14-13-25(2)3)20(27)15-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H2,23,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 recombinant human Carbonic anhydrase 5B assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair

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