Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50320507'   

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))	BDBM50320507 (4-[N'-(6-Chloro-7-methyl-1,1-dioxo-1,4,2-benzodith...) Show SMILES Cc1cc2c(SC(NS2(=O)=O)=NNc2ccncc2S(N)(=O)=O)cc1Cl |w:11.12| Show InChI InChI=1S/C13H12ClN5O4S3/c1-7-4-11-10(5-8(7)14)24-13(19-26(11,22)23)18-17-9-2-3-16-6-12(9)25(15,20)21/h2-6H,1H3,(H,16,17)(H,18,19)(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	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 cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 45: 2396-404 (2010) Article DOI: 10.1016/j.ejmech.2010.02.020 BindingDB Entry DOI: 10.7270/Q2M908W8
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