Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50091619'   

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))	BDBM50091619 (CHEMBL3582346) Show SMILES CC(C)Oc1cccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C16H19N3O4S/c1-11(2)23-14-5-3-4-13(10-14)19-16(20)18-12-6-8-15(9-7-12)24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				ACS Med Chem Lett 6: 518-22 (2015) Article DOI: 10.1021/acsmedchemlett.5b00062 BindingDB Entry DOI: 10.7270/Q2GF0W8S
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