Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50008334'   

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))	BDBM50008334 (CHEMBL3235169) Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(=O)c1ccc(F)cc1)\C=C\C(=O)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c19-13-3-1-12(2-4-13)16(25)11-24(10-9-17(26)18(20,21)22)14-5-7-15(8-6-14)29(23,27)28/h1-10H,11H2,(H2,23,27,28)/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...				Bioorg Med Chem Lett 24: 1776-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.030 BindingDB Entry DOI: 10.7270/Q25D8TC6
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