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 = 'BDBM50229841'   

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))	BDBM50229841 (CHEMBL420799) Show SMILES CCC(C)OC(=O)CCC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C10H16N4O5S2/c1-3-6(2)19-8(16)5-4-7(15)12-9-13-14-10(20-9)21(11,17)18/h6H,3-5H2,1-2H3,(H2,11,17,18)(H,12,13,15)	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	370	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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