Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50395390'   

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))	BDBM50395390 (CHEMBL2164738) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H24N4O6S2/c1-16(28)26-19-8-12-22(13-9-19)35(32,33)27-20-6-4-18(5-7-20)23(29)25-15-14-17-2-10-21(11-3-17)34(24,30)31/h2-13,27H,14-15H2,1H3,(H,25,29)(H,26,28)(H2,24,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
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