Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50320509'   

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))	BDBM50320509 (4-[2-(4-Sulfamoylphenyl)ethylamino]-3-pyridinosulf...) Show SMILES NS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1 Show InChI InChI=1S/C13H16N4O4S2/c14-22(18,19)11-3-1-10(2-4-11)5-8-17-12-6-7-16-9-13(12)23(15,20)21/h1-4,6-7,9H,5,8H2,(H,16,17)(H2,14,18,19)(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15.1	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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