Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50040429'   

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))	BDBM50040429 (CHEMBL3360590) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C20H26N4O4S/c21-29(27,28)18-10-8-17(9-11-18)15-24-19(25)7-4-13-22-20(26)23-14-12-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-15H2,(H,24,25)(H2,21,27,28)(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 6768-75 (2015) Article DOI: 10.1016/j.bmc.2014.10.041 BindingDB Entry DOI: 10.7270/Q2697560
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