Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50054658'   

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))	BDBM50054658 (CHEMBL3323210) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H13N5O7S2/c14-26(22,23)11-5-1-9(2-6-11)15-13(19)16-17-27(24,25)12-7-3-10(4-8-12)18(20)21/h1-8,17H,(H2,14,22,23)(H2,15,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
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