Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9' and Ligand = 'BDBM50229846'   

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 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9 (Homo sapiens (Human))	BDBM50229846 (CHEMBL264307) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCCCCCCC(O)=O)s1 Show InChI InChI=1S/C11H18N4O5S2/c12-22(19,20)11-15-14-10(21-11)13-8(16)6-4-2-1-3-5-7-9(17)18/h1-7H2,(H,17,18)(H2,12,19,20)(H,13,14,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Internazionale Dr. G. Rende Curated by ChEMBL					Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits				J Med Chem 35: 2697-703 (1992) BindingDB Entry DOI: 10.7270/Q2K076G9
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