Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50143812'   

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))	BDBM50143812 (CHEMBL3760118) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H17N3O4S/c23-30(27,28)20-12-8-17(9-13-20)25-22(26)15-14-21(24-25)16-6-10-19(11-7-16)29-18-4-2-1-3-5-18/h1-15H,(H2,23,27,28)	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
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
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