Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292146'   

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))	BDBM50292146 (CHEMBL35593 | {(2-{Carboxymethyl-[2-(2-sulfamoyl-b...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CC(O)=O)CC(=O)OCCOc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C28H32N6O14S4/c29-51(41,42)27-31-19-3-1-17(11-21(19)49-27)45-7-9-47-25(39)15-33(13-23(35)36)5-6-34(14-24(37)38)16-26(40)48-10-8-46-18-2-4-20-22(12-18)50-28(32-20)52(30,43)44/h1-4,11-12H,5-10,13-16H2,(H,35,36)(H,37,38)(H2,29,41,42)(H2,30,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	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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