Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50233537'   

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))	BDBM50233537 (CHEMBL4062330) Show SMILES COc1ccc(C[C@@H]2C[C@@H]2C(O)=O)cc1OC |r| Show InChI InChI=1S/C13H16O4/c1-16-11-4-3-8(6-12(11)17-2)5-9-7-10(9)13(14)15/h3-4,6,9-10H,5,7H2,1-2H3,(H,14,15)/t9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA2 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method				J Med Chem 58: 640-50 (2015) Article DOI: 10.1021/jm501573b BindingDB Entry DOI: 10.7270/Q2PR7Z6B
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