Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50080728'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50080728 (3-{[(4-aminophenyl)sulfonyl]amino}benzenesulfonami...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C12H13N3O4S2/c13-9-4-6-11(7-5-9)21(18,19)15-10-2-1-3-12(8-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase I (CAI)				Bioorg Med Chem Lett 10: 1117-20 (2000) BindingDB Entry DOI: 10.7270/Q2WW7J6M
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50080728 (3-{[(4-aminophenyl)sulfonyl]amino}benzenesulfonami...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C12H13N3O4S2/c13-9-4-6-11(7-5-9)21(18,19)15-10-2-1-3-12(8-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase I (CA1)				J Med Chem 43: 292-300 (2000) BindingDB Entry DOI: 10.7270/Q22806T7
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50080728 (3-{[(4-aminophenyl)sulfonyl]amino}benzenesulfonami...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C12H13N3O4S2/c13-9-4-6-11(7-5-9)21(18,19)15-10-2-1-3-12(8-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of human CA1				Bioorg Med Chem Lett 16: 2044-51 (2006) Article DOI: 10.1016/j.bmcl.2005.08.071 BindingDB Entry DOI: 10.7270/Q20Z761V
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50080728 (3-{[(4-aminophenyl)sulfonyl]amino}benzenesulfonami...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C12H13N3O4S2/c13-9-4-6-11(7-5-9)21(18,19)15-10-2-1-3-12(8-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant carbonic anhydrase I (CA1)				J Med Chem 42: 3690-700 (1999) Article DOI: 10.1021/jm9901879 BindingDB Entry DOI: 10.7270/Q26Q1XXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50080728 (3-{[(4-aminophenyl)sulfonyl]amino}benzenesulfonami...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C12H13N3O4S2/c13-9-4-6-11(7-5-9)21(18,19)15-10-2-1-3-12(8-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	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 Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1534-8 (2013) Article DOI: 10.1016/j.bmc.2012.07.024 BindingDB Entry DOI: 10.7270/Q2VQ3463
					More data for this Ligand-Target Pair