Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50094326'   

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 2 (Homo sapiens (Human))	BDBM50094326 (2,3,4,5,6-Pentafluoro-benzenesulfonic acid 2-(2-su...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1 Show InChI InChI=1S/C15H9F5N2O6S3/c16-9-10(17)12(19)14(13(20)11(9)18)31(25,26)28-4-3-27-6-1-2-7-8(5-6)29-15(22-7)30(21,23)24/h1-2,5H,3-4H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase II (CA2)				J Med Chem 43: 4542-51 (2000) BindingDB Entry DOI: 10.7270/Q2BV7HBP
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