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 = 'BDBM50229845'   

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))	BDBM50229845 (CHEMBL91517) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCCC(O)=O)s1 Show InChI InChI=1S/C7H10N4O5S2/c8-18(15,16)7-11-10-6(17-7)9-4(12)2-1-3-5(13)14/h1-3H2,(H,13,14)(H2,8,15,16)(H,9,10,12)	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	520	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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