Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50097275'   

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))	BDBM50097275 (CHEMBL286586 | {{2-[Carboxymethyl-(2-{carboxymethy...) Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C28H33N9O12S4/c29-52(46,47)27-33-18-3-1-16(9-20(18)50-27)31-22(38)11-36(14-25(42)43)7-5-35(13-24(40)41)6-8-37(15-26(44)45)12-23(39)32-17-2-4-19-21(10-17)51-28(34-19)53(30,48)49/h1-4,9-10H,5-8,11-15H2,(H,31,38)(H,32,39)(H,40,41)(H,42,43)(H,44,45)(H2,29,46,47)(H2,30,48,49)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	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 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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50097275 (CHEMBL286586 | {{2-[Carboxymethyl-(2-{carboxymethy...) Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C28H33N9O12S4/c29-52(46,47)27-33-18-3-1-16(9-20(18)50-27)31-22(38)11-36(14-25(42)43)7-5-35(13-24(40)41)6-8-37(15-26(44)45)12-23(39)32-17-2-4-19-21(10-17)51-28(34-19)53(30,48)49/h1-4,9-10H,5-8,11-15H2,(H,31,38)(H,32,39)(H,40,41)(H,42,43)(H,44,45)(H2,29,46,47)(H2,30,48,49)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	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 cloned isozyme, human carbonic anhydrase II				Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ
					More data for this Ligand-Target Pair