Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50233549'   

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))	BDBM50233549 (CHEMBL4092055) Show SMILES COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)cc1OC |r| Show InChI InChI=1S/C13H15BrO4/c1-17-11-5-8(10(14)6-12(11)18-2)3-7-4-9(7)13(15)16/h5-7,9H,3-4H2,1-2H3,(H,15,16)/t7-,9+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.80	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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