Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50300418'   

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 12 (Homo sapiens (Human))	BDBM50300418 (2-Tert-butyl-5-chloroisothiazol-3(2H)-one 1-oxide ...) Show SMILES CC(C)(C)n1c(=O)cc(Cl)s1=O Show InChI InChI=1S/C7H10ClNO2S/c1-7(2,3)9-6(10)4-5(8)12(9)11/h4H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 175: 40-48 (2019) Article DOI: 10.1016/j.ejmech.2019.04.072 BindingDB Entry DOI: 10.7270/Q2Z32327
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