Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM239156'   

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))	BDBM239156 (6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-4-3-12(8-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30E+4	-22.7	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
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