Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50492596'   

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))	BDBM50492596 (CHEMBL2408075) Show SMILES Clc1c(\C=N\c2ccc(cc2)S(=O)(=O)Nc2nccs2)c(=O)oc2ccccc12 Show InChI InChI=1S/C19H12ClN3O4S2/c20-17-14-3-1-2-4-16(14)27-18(24)15(17)11-22-12-5-7-13(8-6-12)29(25,26)23-19-21-9-10-28-19/h1-11H,(H,21,23)/b22-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
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