Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292151'   

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))	BDBM50292151 (CHEMBL32308 | [(2-Hydroxy-phenyl)-(2-{(2-hydroxy-p...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CC(O)=O)c3ccccc3O)c3ccccc3O)cc2s1 Show InChI InChI=1S/C27H28N4O9S2/c28-42(37,38)27-29-19-10-9-18(15-24(19)41-27)39-13-14-40-26(36)17-31(21-6-2-4-8-23(21)33)12-11-30(16-25(34)35)20-5-1-3-7-22(20)32/h1-10,15,32-33H,11-14,16-17H2,(H,34,35)(H2,28,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	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
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