Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50094396'   

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))	BDBM50094396 (5-(Nonafluorobutane-1-sulfonylamino)-[1,3,4]thiadi...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 Show InChI InChI=1S/C6H3F9N4O4S3/c7-3(8,5(11,12)13)4(9,10)6(14,15)26(22,23)19-1-17-18-2(24-1)25(16,20)21/h(H,17,19)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	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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