Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50429915'   

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))	BDBM50429915 (CHEMBL2333403) Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCc2ccccc2)c(F)c1F Show InChI InChI=1S/C13H9F4NO2S2/c14-8-10(16)13(22(18,19)20)11(17)9(15)12(8)21-6-7-4-2-1-3-5-7/h1-5H,6H2,(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	n/a	n/a	n/a	6.70	n/a	n/a	n/a	7.0	n/a
Vilnius University Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by thermal shift assay				Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK
					More data for this Ligand-Target Pair