Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292073'   

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))	BDBM50292073 (CHEMBL35061 | {(2-Hydroxy-phenyl)-[2-((2-hydroxy-p...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CC(O)=O)c2ccccc2O)c2ccccc2O)s1 Show InChI InChI=1S/C23H27N7O8S2/c24-40(37,38)23-28-27-22(39-23)26-19(33)9-10-25-20(34)13-29(15-5-1-3-7-17(15)31)11-12-30(14-21(35)36)16-6-2-4-8-18(16)32/h1-8,31-32H,9-14H2,(H,25,34)(H,35,36)(H2,24,37,38)(H,26,27,33)	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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