Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50336488'   

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))	BDBM50336488 (1,2-dimethoxybenzene | CHEMBL1668603) Show SMILES COc1ccccc1OC Show InChI InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Calgary Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 19: 1381-9 (2011) Article DOI: 10.1016/j.bmc.2011.01.016 BindingDB Entry DOI: 10.7270/Q2KS6RVD
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