Compile Data Set for Download or QSAR

Found 152 hits with Last Name = 'pastoreková' and Initial = 's'   

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 12 (Homo sapiens (Human))	BDBM10860 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...) Show SMILES NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10855 (2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...) Show SMILES Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10862 (4-Amino-3-fluorobenzenesulfonamide | 4-amino-3-flu...) Show SMILES Nc1ccc(cc1F)S(N)(=O)=O Show InChI InChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10859 (4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...) Show SMILES Cc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair				3D Structure (docked)
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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10863 (4-Amino-3-chlorobenzenesulfonamide | 4-amino-3-chl...) Show SMILES Nc1ccc(cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C6H7ClN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (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	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10873 (4-[(2-aminopyrimidin-4-yl)amino]benzene-1-sulfonam...) Show SMILES Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50160670 (CHEMBL182723 | N-(3-Chloro-1H-indol-7-yl)-4-sulfin...) Show SMILES NS(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O3S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-23(20,21)10-6-4-9(5-7-10)22(16)19/h1-8,17-18H,16H2	PDB MMDB 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					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	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10871 (4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sul...) Show SMILES Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H15N3O4S2/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,9,14H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10874 (6-hydroxy-1,3-benzothiazole-2-sulfonamide | CHEMBL...) Show SMILES NS(=O)(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)	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	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	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	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) Show SMILES Cn1nc(sc1=N)S(N)(=O)=O Show InChI InChI=1S/C3H6N4O2S2/c1-7-2(4)10-3(6-7)11(5,8)9/h4H,1H3,(H2,5,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10872 (4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-su...) Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
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	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human (cloned) isozyme (hCA II) by CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	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	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50160669 (4-(N-Methyl-hydrazino)-benzenesulfonamide | CHEMBL...) Show SMILES CN(N)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H11N3O2S/c1-10(8)6-2-4-7(5-3-6)13(9,11)12/h2-5H,8H2,1H3,(H2,9,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10865 (4-Amino-3-iodobenzenesulfonamide | 4-amino-3-iodob...) Show SMILES Nc1ccc(cc1I)S(N)(=O)=O Show InChI InChI=1S/C6H7IN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human (cloned) isozyme (hCA II) by CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10875 (5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide...) Show SMILES NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl Show InChI InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human (cloned) isozyme (hCA II) by CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human (cloned) isozyme (hCA II) by CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	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	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50160670 (CHEMBL182723 | N-(3-Chloro-1H-indol-7-yl)-4-sulfin...) Show SMILES NS(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O3S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-23(20,21)10-6-4-9(5-7-10)22(16)19/h1-8,17-18H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50170763 (2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-{3-[4-(5-sul...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)s1 |(32.81,3.4,;31.27,3.4,;31.25,4.94,;31.25,1.86,;29.73,3.24,;28.96,1.89,;27.46,2.21,;27.3,3.73,;25.97,4.5,;24.62,3.71,;25.41,2.37,;23.83,5.06,;23.27,2.92,;21.94,3.69,;20.61,2.92,;20.61,1.38,;19.27,.61,;17.94,1.39,;17.95,2.93,;16.6,.62,;16.59,-.92,;15.24,-1.69,;15.24,-3.23,;16.59,-4,;17.92,-3.23,;17.92,-1.69,;19.26,-4.02,;20.59,-4.79,;20.59,-3.25,;16.59,-5.55,;15.26,-6.32,;13.93,-5.55,;12.58,-6.32,;12.58,-7.86,;11.25,-8.64,;13.93,-8.63,;15.26,-7.87,;16.59,-8.63,;17.93,-7.86,;19.26,-8.63,;20.59,-7.86,;21.94,-8.64,;20.59,-6.32,;19.26,-5.55,;17.93,-6.32,;21.94,.6,;23.27,1.37,;28.7,4.38,)| Show InChI InChI=1S/C29H20N6O9S4/c30-47(40,41)29-34-33-28(46-29)35-48(42,43)18-6-1-14(2-7-18)31-27(45)32-15-3-8-19(22(11-15)26(38)39)25-20-9-4-16(36)12-23(20)44-24-13-17(37)5-10-21(24)25/h1-13,36H,(H,33,35)(H,38,39)(H2,30,40,41)(H2,31,32,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human cloned isozyme (hCA IX) by CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) Show SMILES Cn1nc(sc1=N)S(N)(=O)=O Show InChI InChI=1S/C3H6N4O2S2/c1-7-2(4)10-3(6-7)11(5,8)9/h4H,1H3,(H2,5,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50170758 (2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-{3-[4-(4-sul...) Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)cc1 |(12.46,-6.66,;12.47,-5.12,;10.93,-5.11,;14.01,-5.12,;12.48,-3.58,;11.14,-2.81,;11.14,-1.27,;12.48,-.5,;12.47,1.04,;11.14,1.81,;9.8,1.02,;9.01,2.37,;10.58,-.33,;8.45,.23,;7.12,1,;5.79,.23,;5.79,-1.31,;4.44,-2.08,;3.11,-1.31,;3.13,.23,;1.78,-2.06,;1.76,-3.6,;.43,-4.37,;.43,-5.93,;1.76,-6.7,;3.09,-5.93,;3.09,-4.39,;4.43,-6.7,;5.76,-7.47,;5.76,-5.93,;1.76,-8.24,;.43,-9.01,;-.9,-8.24,;-2.24,-9.01,;-2.24,-10.55,;-3.59,-11.34,;-.9,-11.32,;.43,-10.55,;1.76,-11.32,;3.1,-10.55,;4.43,-11.32,;5.77,-10.55,;7.12,-11.34,;5.77,-9.01,;4.43,-8.24,;3.1,-9.01,;7.12,-2.08,;8.45,-1.31,;13.81,-1.26,;13.81,-2.8,)| Show InChI InChI=1S/C34H26N4O9S3/c35-49(43,44)24-8-1-19(2-9-24)18-36-50(45,46)25-10-3-20(4-11-25)37-34(48)38-21-5-12-26(29(15-21)33(41)42)32-27-13-6-22(39)16-30(27)47-31-17-23(40)7-14-28(31)32/h1-17,36,39H,18H2,(H,41,42)(H2,35,43,44)(H2,37,38,48)	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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human cloned isozyme (hCA IX) by CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10864 (4-Amino-3-bromobenzenesulfonamide | 4-amino-3-brom...) Show SMILES Nc1ccc(cc1Br)S(N)(=O)=O Show InChI InChI=1S/C6H7BrN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50170754 (2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-{3-[2-(4-sul...) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6]-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1 |w:13.12,c:15,18| 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/h1-10,13-15,33-34H,11-12H2,(H,31,40)(H,35,36)(H2,30,37,38)	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	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human cloned isozyme (hCA IX) by CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					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
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human cloned isozyme (hCA IX) by CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					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
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human (cloned) isozyme (hCA I) by the CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					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
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human cloned isozyme (hCA IX) by CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50170756 (2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-[3-(4-sulfam...) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1 |w:12.11,c:14,17| Show InChI InChI=1S/C28H21N3O7S2/c29-40(36,37)19-6-1-15(2-7-19)14-30-28(39)31-16-3-8-20(23(11-16)27(34)35)26-21-9-4-17(32)12-24(21)38-25-13-18(33)5-10-22(25)26/h1-13,32-33H,14H2,(H,30,39)(H,34,35)(H2,29,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human cloned isozyme (hCA IX) by CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50170763 (2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-{3-[4-(5-sul...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)s1 |(32.81,3.4,;31.27,3.4,;31.25,4.94,;31.25,1.86,;29.73,3.24,;28.96,1.89,;27.46,2.21,;27.3,3.73,;25.97,4.5,;24.62,3.71,;25.41,2.37,;23.83,5.06,;23.27,2.92,;21.94,3.69,;20.61,2.92,;20.61,1.38,;19.27,.61,;17.94,1.39,;17.95,2.93,;16.6,.62,;16.59,-.92,;15.24,-1.69,;15.24,-3.23,;16.59,-4,;17.92,-3.23,;17.92,-1.69,;19.26,-4.02,;20.59,-4.79,;20.59,-3.25,;16.59,-5.55,;15.26,-6.32,;13.93,-5.55,;12.58,-6.32,;12.58,-7.86,;11.25,-8.64,;13.93,-8.63,;15.26,-7.87,;16.59,-8.63,;17.93,-7.86,;19.26,-8.63,;20.59,-7.86,;21.94,-8.64,;20.59,-6.32,;19.26,-5.55,;17.93,-6.32,;21.94,.6,;23.27,1.37,;28.7,4.38,)| Show InChI InChI=1S/C29H20N6O9S4/c30-47(40,41)29-34-33-28(46-29)35-48(42,43)18-6-1-14(2-7-18)31-27(45)32-15-3-8-19(22(11-15)26(38)39)25-20-9-4-16(36)12-23(20)44-24-13-17(37)5-10-21(24)25/h1-13,36H,(H,33,35)(H,38,39)(H2,30,40,41)(H2,31,32,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human (cloned) isozyme (hCA II) by CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human cloned isozyme (hCA IX) by CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					More data for this Ligand-Target Pair

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