Compile Data Set for Download or QSAR

Found 176 hits Enz. Inhib. hit(s) with all data for entry = 50039571   

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 1 (Homo sapiens (Human))	BDBM50380138 (CHEMBL2010989) Show SMILES Cc1nc(SCC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H18ClN3O4S2/c1-12-15(9-13-5-3-2-4-6-13)19(26)24-20(23-12)29-11-17(25)14-7-8-16(21)18(10-14)30(22,27)28/h2-8,10H,9,11H2,1H3,(H2,22,27,28)(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-1 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380139 (CHEMBL2011157) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H12ClNO3S2/c15-12-7-6-10(8-14(12)21(16,18)19)13(17)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50380141 (CHEMBL2010807) Show SMILES CCCCc1cnc(SCC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C16H18ClN3O3S2/c1-2-3-4-11-8-19-16(20-9-11)24-10-14(21)12-5-6-13(17)15(7-12)25(18,22)23/h5-9H,2-4,10H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-1 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380142 (CHEMBL2011000) Show SMILES CCc1cnc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C14H15N3O3S2/c1-2-10-7-16-14(17-8-10)21-9-13(18)11-3-5-12(6-4-11)22(15,19)20/h3-8H,2,9H2,1H3,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380143 (CHEMBL2010998) Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H15N3O3S2/c1-9-7-10(2)17-14(16-9)21-8-13(18)11-3-5-12(6-4-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380144 (CHEMBL2010994 | carbonic anhydrase (CA) inhibitors...) Show SMILES CC(C)(C)c1cc(=O)[nH]c(SCC(=O)c2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C16H19N3O4S2/c1-16(2,3)13-8-14(21)19-15(18-13)24-9-12(20)10-4-6-11(7-5-10)25(17,22)23/h4-8H,9H2,1-3H3,(H2,17,22,23)(H,18,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380145 (CHEMBL2010992) Show SMILES CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H17N3O4S2/c1-2-3-11-8-14(20)18-15(17-11)23-9-13(19)10-4-6-12(7-5-10)24(16,21)22/h4-8H,2-3,9H2,1H3,(H2,16,21,22)(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380146 (CHEMBL2010993) Show SMILES CC(C)(C)c1cc(=O)[nH]c(SCC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C16H18ClN3O4S2/c1-16(2,3)13-7-14(22)20-15(19-13)25-8-11(21)9-4-5-10(17)12(6-9)26(18,23)24/h4-7H,8H2,1-3H3,(H2,18,23,24)(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380147 (CHEMBL2011158) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H13NO3S2/c15-20(17,18)13-8-6-11(7-9-13)14(16)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380147 (CHEMBL2011158) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H13NO3S2/c15-20(17,18)13-8-6-11(7-9-13)14(16)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380147 (CHEMBL2011158) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H13NO3S2/c15-20(17,18)13-8-6-11(7-9-13)14(16)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380147 (CHEMBL2011158) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H13NO3S2/c15-20(17,18)13-8-6-11(7-9-13)14(16)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380147 (CHEMBL2011158) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H13NO3S2/c15-20(17,18)13-8-6-11(7-9-13)14(16)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50380147 (CHEMBL2011158) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H13NO3S2/c15-20(17,18)13-8-6-11(7-9-13)14(16)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-1 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380147 (CHEMBL2011158) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H13NO3S2/c15-20(17,18)13-8-6-11(7-9-13)14(16)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50380147 (CHEMBL2011158) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H13NO3S2/c15-20(17,18)13-8-6-11(7-9-13)14(16)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-1 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380139 (CHEMBL2011157) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H12ClNO3S2/c15-12-7-6-10(8-14(12)21(16,18)19)13(17)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380139 (CHEMBL2011157) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H12ClNO3S2/c15-12-7-6-10(8-14(12)21(16,18)19)13(17)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380139 (CHEMBL2011157) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H12ClNO3S2/c15-12-7-6-10(8-14(12)21(16,18)19)13(17)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380139 (CHEMBL2011157) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H12ClNO3S2/c15-12-7-6-10(8-14(12)21(16,18)19)13(17)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380139 (CHEMBL2011157) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H12ClNO3S2/c15-12-7-6-10(8-14(12)21(16,18)19)13(17)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50380139 (CHEMBL2011157) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H12ClNO3S2/c15-12-7-6-10(8-14(12)21(16,18)19)13(17)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-1 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50380139 (CHEMBL2011157) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ccccc1 Show InChI InChI=1S/C14H12ClNO3S2/c15-12-7-6-10(8-14(12)21(16,18)19)13(17)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-1 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-1 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-1 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-1 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-1 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380149 (CHEMBL2011154) Show SMILES CCCCc1cnc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C16H19N3O3S2/c1-2-3-4-12-9-18-16(19-10-12)23-11-15(20)13-5-7-14(8-6-13)24(17,21)22/h5-10H,2-4,11H2,1H3,(H2,17,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380149 (CHEMBL2011154) Show SMILES CCCCc1cnc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C16H19N3O3S2/c1-2-3-4-12-9-18-16(19-10-12)23-11-15(20)13-5-7-14(8-6-13)24(17,21)22/h5-10H,2-4,11H2,1H3,(H2,17,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380149 (CHEMBL2011154) Show SMILES CCCCc1cnc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C16H19N3O3S2/c1-2-3-4-12-9-18-16(19-10-12)23-11-15(20)13-5-7-14(8-6-13)24(17,21)22/h5-10H,2-4,11H2,1H3,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380149 (CHEMBL2011154) Show SMILES CCCCc1cnc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C16H19N3O3S2/c1-2-3-4-12-9-18-16(19-10-12)23-11-15(20)13-5-7-14(8-6-13)24(17,21)22/h5-10H,2-4,11H2,1H3,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380149 (CHEMBL2011154) Show SMILES CCCCc1cnc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C16H19N3O3S2/c1-2-3-4-12-9-18-16(19-10-12)23-11-15(20)13-5-7-14(8-6-13)24(17,21)22/h5-10H,2-4,11H2,1H3,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380149 (CHEMBL2011154) Show SMILES CCCCc1cnc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C16H19N3O3S2/c1-2-3-4-12-9-18-16(19-10-12)23-11-15(20)13-5-7-14(8-6-13)24(17,21)22/h5-10H,2-4,11H2,1H3,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50380149 (CHEMBL2011154) Show SMILES CCCCc1cnc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C16H19N3O3S2/c1-2-3-4-12-9-18-16(19-10-12)23-11-15(20)13-5-7-14(8-6-13)24(17,21)22/h5-10H,2-4,11H2,1H3,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-1 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50380149 (CHEMBL2011154) Show SMILES CCCCc1cnc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C16H19N3O3S2/c1-2-3-4-12-9-18-16(19-10-12)23-11-15(20)13-5-7-14(8-6-13)24(17,21)22/h5-10H,2-4,11H2,1H3,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-1 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380141 (CHEMBL2010807) Show SMILES CCCCc1cnc(SCC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C16H18ClN3O3S2/c1-2-3-4-11-8-19-16(20-9-11)24-10-14(21)12-5-6-13(17)15(7-12)25(18,22)23/h5-9H,2-4,10H2,1H3,(H2,18,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380141 (CHEMBL2010807) Show SMILES CCCCc1cnc(SCC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C16H18ClN3O3S2/c1-2-3-4-11-8-19-16(20-9-11)24-10-14(21)12-5-6-13(17)15(7-12)25(18,22)23/h5-9H,2-4,10H2,1H3,(H2,18,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-13 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380141 (CHEMBL2010807) Show SMILES CCCCc1cnc(SCC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C16H18ClN3O3S2/c1-2-3-4-11-8-19-16(20-9-11)24-10-14(21)12-5-6-13(17)15(7-12)25(18,22)23/h5-9H,2-4,10H2,1H3,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair

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