Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50114854'   

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))	BDBM50114854 (CHEMBL3608891) Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C1CC1 Show InChI InChI=1S/C10H10N2O3S2/c11-17(13,14)9-3-7(5-16-9)8-4-12-10(15-8)6-1-2-6/h3-6H,1-2H2,(H2,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) Article DOI: 10.1016/j.ejmech.2015.06.022 BindingDB Entry DOI: 10.7270/Q2W95BZC
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