Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50457006'   

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))	BDBM50457006 (CHEMBL4211148) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/NC(=O)\C(S1)=C1\C(=O)N(Cc2ccccc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C24H17ClN4O4S2/c25-15-6-11-19-18(12-15)20(23(31)29(19)13-14-4-2-1-3-5-14)21-22(30)28-24(34-21)27-16-7-9-17(10-8-16)35(26,32)33/h1-12H,13H2,(H2,26,32,33)(H,27,28,30)/b21-20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay				Eur J Med Chem 139: 250-262 (2017) Article DOI: 10.1016/j.ejmech.2017.07.073 BindingDB Entry DOI: 10.7270/Q22F7R2C
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