Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50495114'   

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))	BDBM50495114 (CHEMBL3104367) Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)NNc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H22ClN5O4S3/c1-14-11-20(19(12-18(14)22)32-13-15-5-3-2-4-6-15)34(30,31)27-21(23)26-25-16-7-9-17(10-8-16)33(24,28)29/h2-12,25H,13H2,1H3,(H3,23,26,27)(H2,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 71: 135-47 (2014) Article DOI: 10.1016/j.ejmech.2013.10.081 BindingDB Entry DOI: 10.7270/Q2086890
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