Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'capelo' and Initial = 'a'   

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))	BDBM50320030 (4-{3-[(4-sulfamoyl-phenyl)carbamoyl]propylamino]-1...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCCNc2ccn(O)c(=O)n2)cc1 Show InChI InChI=1S/C14H17N5O5S/c15-25(23,24)11-5-3-10(4-6-11)17-13(20)2-1-8-16-12-7-9-19(22)14(21)18-12/h3-7,9,22H,1-2,8H2,(H,17,20)(H2,15,23,24)(H,16,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50320031 (4-{3-[2-(4-sulfamoyl-phenyl)-ethyl-carbamoyl]propy...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCNc2ccn(O)c(=O)n2)cc1 Show InChI InChI=1S/C16H21N5O5S/c17-27(25,26)13-5-3-12(4-6-13)7-10-19-15(22)2-1-9-18-14-8-11-21(24)16(23)20-14/h3-6,8,11,24H,1-2,7,9-10H2,(H,19,22)(H2,17,25,26)(H,18,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50320033 (4-{5-[2-(4-sulfamoyl-phenyl)-ethyl-carbamoyl]penty...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCCCNc2ccn(O)c(=O)n2)cc1 Show InChI InChI=1S/C18H25N5O5S/c19-29(27,28)15-7-5-14(6-8-15)9-12-21-17(24)4-2-1-3-11-20-16-10-13-23(26)18(25)22-16/h5-8,10,13,26H,1-4,9,11-12H2,(H,21,24)(H2,19,27,28)(H,20,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11635 (4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamid...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					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
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50320032 (4-{5-[(4-sulfamoyl-phenyl)carbamoyl]-pentylamino}-...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCCCCNc2ccn(O)c(=O)n2)cc1 Show InChI InChI=1S/C16H21N5O5S/c17-27(25,26)13-7-5-12(6-8-13)19-15(22)4-2-1-3-10-18-14-9-11-21(24)16(23)20-14/h5-9,11,24H,1-4,10H2,(H,19,22)(H2,17,25,26)(H,18,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					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
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50320032 (4-{5-[(4-sulfamoyl-phenyl)carbamoyl]-pentylamino}-...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCCCCNc2ccn(O)c(=O)n2)cc1 Show InChI InChI=1S/C16H21N5O5S/c17-27(25,26)13-7-5-12(6-8-13)19-15(22)4-2-1-3-10-18-14-9-11-21(24)16(23)20-14/h5-9,11,24H,1-4,10H2,(H,19,22)(H2,17,25,26)(H,18,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					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
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11635 (4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamid...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50320033 (4-{5-[2-(4-sulfamoyl-phenyl)-ethyl-carbamoyl]penty...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCCCNc2ccn(O)c(=O)n2)cc1 Show InChI InChI=1S/C18H25N5O5S/c19-29(27,28)15-7-5-14(6-8-15)9-12-21-17(24)4-2-1-3-11-20-16-10-13-23(26)18(25)22-16/h5-8,10,13,26H,1-4,9,11-12H2,(H,21,24)(H2,19,27,28)(H,20,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50320031 (4-{3-[2-(4-sulfamoyl-phenyl)-ethyl-carbamoyl]propy...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCNc2ccn(O)c(=O)n2)cc1 Show InChI InChI=1S/C16H21N5O5S/c17-27(25,26)13-5-3-12(4-6-13)7-10-19-15(22)2-1-9-18-14-8-11-21(24)16(23)20-14/h3-6,8,11,24H,1-2,7,9-10H2,(H,19,22)(H2,17,25,26)(H,18,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50320030 (4-{3-[(4-sulfamoyl-phenyl)carbamoyl]propylamino]-1...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCCNc2ccn(O)c(=O)n2)cc1 Show InChI InChI=1S/C14H17N5O5S/c15-25(23,24)11-5-3-10(4-6-11)17-13(20)2-1-8-16-12-7-9-19(22)14(21)18-12/h3-7,9,22H,1-2,8H2,(H,17,20)(H2,15,23,24)(H,16,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					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
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					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
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					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
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50320033 (4-{5-[2-(4-sulfamoyl-phenyl)-ethyl-carbamoyl]penty...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCCCNc2ccn(O)c(=O)n2)cc1 Show InChI InChI=1S/C18H25N5O5S/c19-29(27,28)15-7-5-14(6-8-15)9-12-21-17(24)4-2-1-3-11-20-16-10-13-23(26)18(25)22-16/h5-8,10,13,26H,1-4,9,11-12H2,(H,21,24)(H2,19,27,28)(H,20,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50320032 (4-{5-[(4-sulfamoyl-phenyl)carbamoyl]-pentylamino}-...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCCCCNc2ccn(O)c(=O)n2)cc1 Show InChI InChI=1S/C16H21N5O5S/c17-27(25,26)13-7-5-12(6-8-13)19-15(22)4-2-1-3-10-18-14-9-11-21(24)16(23)20-14/h5-9,11,24H,1-4,10H2,(H,19,22)(H2,17,25,26)(H,18,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50320031 (4-{3-[2-(4-sulfamoyl-phenyl)-ethyl-carbamoyl]propy...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCNc2ccn(O)c(=O)n2)cc1 Show InChI InChI=1S/C16H21N5O5S/c17-27(25,26)13-5-3-12(4-6-13)7-10-19-15(22)2-1-9-18-14-8-11-21(24)16(23)20-14/h3-6,8,11,24H,1-2,7,9-10H2,(H,19,22)(H2,17,25,26)(H,18,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50320030 (4-{3-[(4-sulfamoyl-phenyl)carbamoyl]propylamino]-1...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCCNc2ccn(O)c(=O)n2)cc1 Show InChI InChI=1S/C14H17N5O5S/c15-25(23,24)11-5-3-10(4-6-11)17-13(20)2-1-8-16-12-7-9-19(22)14(21)18-12/h3-7,9,22H,1-2,8H2,(H,17,20)(H2,15,23,24)(H,16,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					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
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					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
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM11635 (4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamid...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (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	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50320034 (4-[5-(methyloxycarbonyl)-pentylamino]-1-hydroxy-2(...) Show SMILES COC(=O)CCCCCNc1ccn(O)c(=O)n1 Show InChI InChI=1S/C11H17N3O4/c1-18-10(15)5-3-2-4-7-12-9-6-8-14(17)11(16)13-9/h6,8,17H,2-5,7H2,1H3,(H,12,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50320034 (4-[5-(methyloxycarbonyl)-pentylamino]-1-hydroxy-2(...) Show SMILES COC(=O)CCCCCNc1ccn(O)c(=O)n1 Show InChI InChI=1S/C11H17N3O4/c1-18-10(15)5-3-2-4-7-12-9-6-8-14(17)11(16)13-9/h6,8,17H,2-5,7H2,1H3,(H,12,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50320034 (4-[5-(methyloxycarbonyl)-pentylamino]-1-hydroxy-2(...) Show SMILES COC(=O)CCCCCNc1ccn(O)c(=O)n1 Show InChI InChI=1S/C11H17N3O4/c1-18-10(15)5-3-2-4-7-12-9-6-8-14(17)11(16)13-9/h6,8,17H,2-5,7H2,1H3,(H,12,13,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50320034 (4-[5-(methyloxycarbonyl)-pentylamino]-1-hydroxy-2(...) Show SMILES COC(=O)CCCCCNc1ccn(O)c(=O)n1 Show InChI InChI=1S/C11H17N3O4/c1-18-10(15)5-3-2-4-7-12-9-6-8-14(17)11(16)13-9/h6,8,17H,2-5,7H2,1H3,(H,12,13,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LNEG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3623-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.109 BindingDB Entry DOI: 10.7270/Q2J38TJR
					More data for this Ligand-Target Pair