Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'ledecq' and Initial = 'm'   

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))	BDBM50153971 (4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50153964 (4-((4,6-diethoxy-1,3,5-triazin-2-ylamino)methyl)be...) Show SMILES CCOc1nc(NCc2ccc(cc2)S(N)(=O)=O)nc(OCC)n1 Show InChI InChI=1S/C14H19N5O4S/c1-3-22-13-17-12(18-14(19-13)23-4-2)16-9-10-5-7-11(8-6-10)24(15,20)21/h5-8H,3-4,9H2,1-2H3,(H2,15,20,21)(H,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50144819 (2,3,5,6-Tetrafluoro-N-(3-sulfamoyl-phenyl)-benzami...) Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1 Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-2-1-3-7(4-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11029 (2-acetamido-5-sulfonamidoindane | CHEMBL184674 | I...) Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)(H2,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11030 (1-valproylamido-5-sulfonamidoindane | 2-propyl-N-(...) Show SMILES CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-16-10-7-13-11-14(23(18,21)22)8-9-15(13)16/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,19,20)(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11038 (2-butylamido-5-sulfonamidoindane | CHEMBL208531 | ...) Show SMILES CCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C14H20N2O3S/c1-2-3-4-14(17)16-12-7-10-5-6-13(20(15,18)19)9-11(10)8-12/h5-6,9,12H,2-4,7-8H2,1H3,(H,16,17)(H2,15,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11034 (1-pentafluorophenylamido-5-sulfonamidoindane | 2,3...) Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C16H11F5N2O3S/c17-11-10(12(18)14(20)15(21)13(11)19)16(24)23-9-4-1-6-5-7(27(22,25)26)2-3-8(6)9/h2-3,5,9H,1,4H2,(H,23,24)(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11039 (2-nonylamido-5-sulfonamidoindane | CHEMBL208532 | ...) Show SMILES CCCCCCCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C19H30N2O3S/c1-2-3-4-5-6-7-8-9-19(22)21-17-12-15-10-11-18(25(20,23)24)14-16(15)13-17/h10-11,14,17H,2-9,12-13H2,1H3,(H,21,22)(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50144825 (CHEMBL75620 | N-(2-Bromo-4-sulfamoyl-phenyl)-2,3,5...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Br)c1 Show InChI InChI=1S/C13H7BrF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50247706 (3-(2-amino-3-cyano-1H-pyrrolo[3,2-b]quinoxalin-1-y...) Show SMILES Nc1c(C#N)c2nc3ccccc3nc2n1-c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H12N6O2S/c18-9-12-15-17(22-14-7-2-1-6-13(14)21-15)23(16(12)19)10-4-3-5-11(8-10)26(20,24)25/h1-8H,19H2,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11035 (2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1...) Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C16H11F5N2O3S/c17-11-10(12(18)14(20)15(21)13(11)19)16(24)23-8-3-6-1-2-9(27(22,25)26)5-7(6)4-8/h1-2,5,8H,3-4H2,(H,23,24)(H2,22,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11038 (2-butylamido-5-sulfonamidoindane | CHEMBL208531 | ...) Show SMILES CCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C14H20N2O3S/c1-2-3-4-14(17)16-12-7-10-5-6-13(20(15,18)19)9-11(10)8-12/h5-6,9,12H,2-4,7-8H2,1H3,(H,16,17)(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50247773 (4-(3-(4-sulfamoylphenethyl)thioureido)benzoic acid...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C16H17N3O4S2/c17-25(22,23)14-7-1-11(2-8-14)9-10-18-16(24)19-13-5-3-12(4-6-13)15(20)21/h1-8H,9-10H2,(H,20,21)(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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11036 (2-ethylamido-5-sulfonamidoindane | CHEMBL204740 | ...) Show SMILES CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair				3D Structure (docked)
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
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					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
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50144819 (2,3,5,6-Tetrafluoro-N-(3-sulfamoyl-phenyl)-benzami...) Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1 Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-2-1-3-7(4-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10877 (4-(2-hydroxyethyl)benzene-1-sulfonamide | CHEMBL67...) Show SMILES NS(=O)(=O)c1ccc(CCO)cc1 Show InChI InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)	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	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					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
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					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
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11033 (2-cyclohexylamido-5-sulfonamidoindane | CHEMBL2049...) Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)C1CCCCC1 Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)15-7-6-12-8-14(9-13(12)10-15)18-16(19)11-4-2-1-3-5-11/h6-7,10-11,14H,1-5,8-9H2,(H,18,19)(H2,17,20,21)	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
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11032 (1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...) Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1 Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125190 (CHEMBL268809 | Quinoline-8-sulfonic acid amide | q...) Show SMILES NS(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C9H8N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H2,10,12,13)	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	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10861 (4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...) Show SMILES NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11035 (2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1...) Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C16H11F5N2O3S/c17-11-10(12(18)14(20)15(21)13(11)19)16(24)23-8-3-6-1-2-9(27(22,25)26)5-7(6)4-8/h1-2,5,8H,3-4H2,(H,23,24)(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11030 (1-valproylamido-5-sulfonamidoindane | 2-propyl-N-(...) Show SMILES CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-16-10-7-13-11-14(23(18,21)22)8-9-15(13)16/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,19,20)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11037 (2-propylamido-5-sulfonamidoindane | CHEMBL205743 |...) Show SMILES CCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C13H18N2O3S/c1-2-3-13(16)15-11-6-9-4-5-12(19(14,17)18)8-10(9)7-11/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50247720 (3-chloro-N-(4-sulfamoylphenethyl)benzo[b]thiophene...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1 Show InChI InChI=1S/C17H15ClN2O3S2/c18-15-13-3-1-2-4-14(13)24-16(15)17(21)20-10-9-11-5-7-12(8-6-11)25(19,22)23/h1-8H,9-10H2,(H,20,21)(H2,19,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50247774 (1,4-phenylene disulfamate | CHEMBL461964) Show SMILES NS(=O)(=O)Oc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C6H8N2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50153964 (4-((4,6-diethoxy-1,3,5-triazin-2-ylamino)methyl)be...) Show SMILES CCOc1nc(NCc2ccc(cc2)S(N)(=O)=O)nc(OCC)n1 Show InChI InChI=1S/C14H19N5O4S/c1-3-22-13-17-12(18-14(19-13)23-4-2)16-9-10-5-7-11(8-6-10)24(15,20)21/h5-8H,3-4,9H2,1-2H3,(H2,15,20,21)(H,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50144825 (CHEMBL75620 | N-(2-Bromo-4-sulfamoyl-phenyl)-2,3,5...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Br)c1 Show InChI InChI=1S/C13H7BrF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50247760 (4-(bis(4-methylpiperidin-1-yl)amino)-N-(4-sulfamoy...) Show SMILES CC1CCN(CC1)N(CCCC(=O)Nc1ccc(cc1)S(N)(=O)=O)N1CCC(C)CC1 Show InChI InChI=1S/C22H37N5O3S/c1-18-9-14-25(15-10-18)27(26-16-11-19(2)12-17-26)13-3-4-22(28)24-20-5-7-21(8-6-20)31(23,29)30/h5-8,18-19H,3-4,9-17H2,1-2H3,(H,24,28)(H2,23,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50247721 (4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide |...) Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H13FN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50153971 (4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11032 (1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...) Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1 Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10877 (4-(2-hydroxyethyl)benzene-1-sulfonamide | CHEMBL67...) Show SMILES NS(=O)(=O)c1ccc(CCO)cc1 Show InChI InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)	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	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11033 (2-cyclohexylamido-5-sulfonamidoindane | CHEMBL2049...) Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)C1CCCCC1 Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)15-7-6-12-8-14(9-13(12)10-15)18-16(19)11-4-2-1-3-5-11/h6-7,10-11,14H,1-5,8-9H2,(H,18,19)(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125190 (CHEMBL268809 | Quinoline-8-sulfonic acid amide | q...) Show SMILES NS(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C9H8N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11039 (2-nonylamido-5-sulfonamidoindane | CHEMBL208532 | ...) Show SMILES CCCCCCCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C19H30N2O3S/c1-2-3-4-5-6-7-8-9-19(22)21-17-12-15-10-11-18(25(20,23)24)14-16(15)13-17/h10-11,14,17H,2-9,12-13H2,1H3,(H,21,22)(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10861 (4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...) Show SMILES NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11028 (1-Acetamido-5-sulfonamidoindane | CHEMBL359768 | I...) Show SMILES CC(=O)NC1CCc2cc(ccc12)S(N)(=O)=O Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-11-5-2-8-6-9(17(12,15)16)3-4-10(8)11/h3-4,6,11H,2,5H2,1H3,(H,13,14)(H2,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11028 (1-Acetamido-5-sulfonamidoindane | CHEMBL359768 | I...) Show SMILES CC(=O)NC1CCc2cc(ccc12)S(N)(=O)=O Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-11-5-2-8-6-9(17(12,15)16)3-4-10(8)11/h3-4,6,11H,2,5H2,1H3,(H,13,14)(H2,12,15,16)	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	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50247760 (4-(bis(4-methylpiperidin-1-yl)amino)-N-(4-sulfamoy...) Show SMILES CC1CCN(CC1)N(CCCC(=O)Nc1ccc(cc1)S(N)(=O)=O)N1CCC(C)CC1 Show InChI InChI=1S/C22H37N5O3S/c1-18-9-14-25(15-10-18)27(26-16-11-19(2)12-17-26)13-3-4-22(28)24-20-5-7-21(8-6-20)31(23,29)30/h5-8,18-19H,3-4,9-17H2,1-2H3,(H,24,28)(H2,23,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11029 (2-acetamido-5-sulfonamidoindane | CHEMBL184674 | I...) Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50247719 (2-(1,3-dioxoisoindolin-2-yl)-N-(4-sulfamoylpheneth...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C18H17N3O5S/c19-27(25,26)13-7-5-12(6-8-13)9-10-20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-8H,9-11H2,(H,20,22)(H2,19,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50247721 (4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide |...) Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H13FN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50247706 (3-(2-amino-3-cyano-1H-pyrrolo[3,2-b]quinoxalin-1-y...) Show SMILES Nc1c(C#N)c2nc3ccccc3nc2n1-c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H12N6O2S/c18-9-12-15-17(22-14-7-2-1-6-13(14)21-15)23(16(12)19)10-4-3-5-11(8-10)26(20,24)25/h1-8H,19H2,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50247722 (2-(3-Allyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]t...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 Show InChI InChI=1S/C21H22N4O4S3/c1-2-11-25-20(27)18-15-5-3-4-6-16(15)31-19(18)24-21(25)30-12-17(26)23-13-7-9-14(10-8-13)32(22,28)29/h2,7-10H,1,3-6,11-12H2,(H,23,26)(H2,22,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 17: 553-7 (2009) Article DOI: 10.1016/j.bmc.2008.11.071 BindingDB Entry DOI: 10.7270/Q28K790B
					More data for this Ligand-Target Pair

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