Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50227247'   

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))	BDBM50227247 (CHEMBL4073786) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)OCCCCc2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C22H29Cl2N3O4S/c23-12-14-27(15-13-24)20-8-4-18(5-9-20)3-1-2-16-31-22(28)26-17-19-6-10-21(11-7-19)32(25,29)30/h4-11H,1-3,12-17H2,(H,26,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Maastricht University Medical Centre Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 691-702 (2017) Article DOI: 10.1016/j.ejmech.2016.10.037 BindingDB Entry DOI: 10.7270/Q2MK6G3G
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