Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'purper' and Initial = 'g'   

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 2 (Homo sapiens (Human))	BDBM50495579 (CHEMBL3113924) Show SMILES NS(=O)(=O)c1ccccc1N1C(=O)c2cccc(c2C1=O)[N+]([O-])=O Show InChI InChI=1S/C14H9N3O6S/c15-24(22,23)11-7-2-1-5-9(11)16-13(18)8-4-3-6-10(17(20)21)12(8)14(16)19/h1-7H,(H2,15,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50013792 (CHEBI:6822 | METHAZOLAMIDE | Neptazane) Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG 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
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM11638 (CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495580 (CHEMBL3113923) Show SMILES NS(=O)(=O)c1cccc(c1)N1C(=O)c2cccc(c2C1=O)[N+]([O-])=O Show InChI InChI=1S/C14H9N3O6S/c15-24(22,23)9-4-1-3-8(7-9)16-13(18)10-5-2-6-11(17(20)21)12(10)14(16)19/h1-7H,(H2,15,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50035677 (CHEMBL2377773) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O Show InChI InChI=1S/C14H9N3O6S/c15-24(22,23)10-4-1-8(2-5-10)16-13(18)11-6-3-9(17(20)21)7-12(11)14(16)19/h1-7H,(H2,15,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50493327 (CHEMBL1232755) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(4.62,-11.02,;5.39,-9.69,;6.72,-10.46,;6.16,-8.36,;4.06,-8.92,;2.72,-9.69,;1.39,-8.92,;1.39,-7.38,;.06,-6.61,;.06,-5.07,;-1.28,-4.3,;-1.28,-2.76,;.06,-1.99,;-2.61,-1.99,;-2.61,-.45,;-3.95,.32,;-3.95,1.86,;-2.61,2.63,;-1.28,1.86,;-1.28,.32,;.06,2.63,;.96,3.87,;1.39,1.86,;-2.61,4.17,;-1.28,4.94,;.06,4.17,;1.39,4.94,;1.39,6.48,;2.72,7.25,;.06,7.25,;-1.28,6.48,;-2.61,7.25,;-3.95,6.48,;-5.28,7.25,;-6.61,6.48,;-7.95,7.25,;-6.61,4.94,;-5.28,4.17,;-3.95,4.94,;2.72,-6.61,;4.06,-7.38,)| Show InChI InChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028010 (AD-810 | CHEBI:10127 | CI-912 | PD-110843 | Zonegr...) Show SMILES OS(=N)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					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	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM11641 (1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...) Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					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
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM13063 (4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...) Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50013792 (CHEBI:6822 | METHAZOLAMIDE | Neptazane) Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11641 (1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...) Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	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	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	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	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	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	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11641 (1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyrid...) Show SMILES Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50493327 (CHEMBL1232755) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(4.62,-11.02,;5.39,-9.69,;6.72,-10.46,;6.16,-8.36,;4.06,-8.92,;2.72,-9.69,;1.39,-8.92,;1.39,-7.38,;.06,-6.61,;.06,-5.07,;-1.28,-4.3,;-1.28,-2.76,;.06,-1.99,;-2.61,-1.99,;-2.61,-.45,;-3.95,.32,;-3.95,1.86,;-2.61,2.63,;-1.28,1.86,;-1.28,.32,;.06,2.63,;.96,3.87,;1.39,1.86,;-2.61,4.17,;-1.28,4.94,;.06,4.17,;1.39,4.94,;1.39,6.48,;2.72,7.25,;.06,7.25,;-1.28,6.48,;-2.61,7.25,;-3.95,6.48,;-5.28,7.25,;-6.61,6.48,;-7.95,7.25,;-6.61,4.94,;-5.28,4.17,;-3.95,4.94,;2.72,-6.61,;4.06,-7.38,)| Show InChI InChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					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
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50013792 (CHEBI:6822 | METHAZOLAMIDE | Neptazane) Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG 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
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM13063 (4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...) Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495582 (CHEMBL3113922) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H11N3O6S/c16-25(23,24)10-6-4-9(5-7-10)8-17-14(19)11-2-1-3-12(18(21)22)13(11)15(17)20/h1-7H,8H2,(H2,16,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50028010 (AD-810 | CHEBI:10127 | CI-912 | PD-110843 | Zonegr...) Show SMILES OS(=N)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11638 (CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13063 (4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...) Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50493327 (CHEMBL1232755) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(4.62,-11.02,;5.39,-9.69,;6.72,-10.46,;6.16,-8.36,;4.06,-8.92,;2.72,-9.69,;1.39,-8.92,;1.39,-7.38,;.06,-6.61,;.06,-5.07,;-1.28,-4.3,;-1.28,-2.76,;.06,-1.99,;-2.61,-1.99,;-2.61,-.45,;-3.95,.32,;-3.95,1.86,;-2.61,2.63,;-1.28,1.86,;-1.28,.32,;.06,2.63,;.96,3.87,;1.39,1.86,;-2.61,4.17,;-1.28,4.94,;.06,4.17,;1.39,4.94,;1.39,6.48,;2.72,7.25,;.06,7.25,;-1.28,6.48,;-2.61,7.25,;-3.95,6.48,;-5.28,7.25,;-6.61,6.48,;-7.95,7.25,;-6.61,4.94,;-5.28,4.17,;-3.95,4.94,;2.72,-6.61,;4.06,-7.38,)| Show InChI InChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11638 (CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50013792 (CHEBI:6822 | METHAZOLAMIDE | Neptazane) Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50028010 (AD-810 | CHEBI:10127 | CI-912 | PD-110843 | Zonegr...) Show SMILES OS(=N)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50035677 (CHEMBL2377773) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O Show InChI InChI=1S/C14H9N3O6S/c15-24(22,23)10-4-1-8(2-5-10)16-13(18)11-6-3-9(17(20)21)7-12(11)14(16)19/h1-7H,(H2,15,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50495578 (CHEMBL3113926) Show SMILES NS(=O)(=O)c1cccc(c1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O Show InChI InChI=1S/C14H9N3O6S/c15-24(22,23)10-3-1-2-8(6-10)16-13(18)11-5-4-9(17(20)21)7-12(11)14(16)19/h1-7H,(H2,15,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50035676 (CHEMBL2377772) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H11N3O6S/c16-25(23,24)11-4-1-9(2-5-11)8-17-14(19)12-6-3-10(18(21)22)7-13(12)15(17)20/h1-7H,8H2,(H2,16,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50035676 (CHEMBL2377772) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H11N3O6S/c16-25(23,24)11-4-1-9(2-5-11)8-17-14(19)12-6-3-10(18(21)22)7-13(12)15(17)20/h1-7H,8H2,(H2,16,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	238	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 1586-95 (2014) Article DOI: 10.1016/j.bmc.2014.01.031 BindingDB Entry DOI: 10.7270/Q2F47S3J
					More data for this Ligand-Target Pair

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