Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50228328'   

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))	BDBM50228328 (([2-(Carboxymethyl-{[2-(4-sulfamoyl-phenyl)-ethylc...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CC(O)=O)CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C26H36N6O10S2/c27-43(39,40)21-5-1-19(2-6-21)9-11-29-23(33)15-31(17-25(35)36)13-14-32(18-26(37)38)16-24(34)30-12-10-20-3-7-22(8-4-20)44(28,41)42/h1-8H,9-18H2,(H,29,33)(H,30,34)(H,35,36)(H,37,38)(H2,27,39,40)(H2,28,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 18: 836-41 (2008) Article DOI: 10.1016/j.bmcl.2007.11.025 BindingDB Entry DOI: 10.7270/Q2JH3N16
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50228328 (([2-(Carboxymethyl-{[2-(4-sulfamoyl-phenyl)-ethylc...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CC(O)=O)CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C26H36N6O10S2/c27-43(39,40)21-5-1-19(2-6-21)9-11-29-23(33)15-31(17-25(35)36)13-14-32(18-26(37)38)16-24(34)30-12-10-20-3-7-22(8-4-20)44(28,41)42/h1-8H,9-18H2,(H,29,33)(H,30,34)(H,35,36)(H,37,38)(H2,27,39,40)(H2,28,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	39	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 Inhibitory activity against Human carbonic anhydrase I				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50228328 (([2-(Carboxymethyl-{[2-(4-sulfamoyl-phenyl)-ethylc...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CC(O)=O)CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C26H36N6O10S2/c27-43(39,40)21-5-1-19(2-6-21)9-11-29-23(33)15-31(17-25(35)36)13-14-32(18-26(37)38)16-24(34)30-12-10-20-3-7-22(8-4-20)44(28,41)42/h1-8H,9-18H2,(H,29,33)(H,30,34)(H,35,36)(H,37,38)(H2,27,39,40)(H2,28,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	400	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 Inhibitory activity against Human carbonic anhydrase I				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair