Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50094418'   

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))	BDBM50094418 (4-Methyl-5-(4-pentafluorobenzenesulfonylamino-benz...) Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)S(N)(=O)=O Show InChI InChI=1S/C15H10F5N5O6S4/c1-25-14(32-15(22-25)33(21,26)27)24-34(28,29)7-4-2-6(3-5-7)23-35(30,31)13-11(19)9(17)8(16)10(18)12(13)20/h2-5,23H,1H3,(H2,21,26,27)/b24-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	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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