Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50228327'   

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))	BDBM50228327 (CHEMBL285962 | {(2-{carboxymethyl-[(3-sulfamoyl-ph...) Show SMILES NS(=O)(=O)c1cccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2cccc(c2)S(N)(=O)=O)CC(O)=O)c1 Show InChI InChI=1S/C22H28N6O10S2/c23-39(35,36)17-5-1-3-15(9-17)25-19(29)11-27(13-21(31)32)7-8-28(14-22(33)34)12-20(30)26-16-4-2-6-18(10-16)40(24,37)38/h1-6,9-10H,7-8,11-14H2,(H,25,29)(H,26,30)(H,31,32)(H,33,34)(H2,23,35,36)(H2,24,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.3	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 CA2 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 2 (Homo sapiens (Human))	BDBM50228327 (CHEMBL285962 | {(2-{carboxymethyl-[(3-sulfamoyl-ph...) Show SMILES NS(=O)(=O)c1cccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2cccc(c2)S(N)(=O)=O)CC(O)=O)c1 Show InChI InChI=1S/C22H28N6O10S2/c23-39(35,36)17-5-1-3-15(9-17)25-19(29)11-27(13-21(31)32)7-8-28(14-22(33)34)12-20(30)26-16-4-2-6-18(10-16)40(24,37)38/h1-6,9-10H,7-8,11-14H2,(H,25,29)(H,26,30)(H,31,32)(H,33,34)(H2,23,35,36)(H2,24,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	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 II				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair