Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50490461'   

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))	BDBM50490461 (CHEMBL2325979) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CNC[C@H]2[C@H](O)C[C@H](O)[C@@H]2C\C=C/CCCC(O)=O)s1 |r| Show InChI InChI=1S/C17H27N5O7S2/c18-31(28,29)17-22-21-16(30-17)20-14(25)9-19-8-11-10(12(23)7-13(11)24)5-3-1-2-4-6-15(26)27/h1,3,10-13,19,23-24H,2,4-9H2,(H,26,27)(H2,18,28,29)(H,20,21,25)/b3-1-/t10-,11-,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay				Bioorg Med Chem Lett 23: 939-43 (2013) Article DOI: 10.1016/j.bmcl.2012.12.058 BindingDB Entry DOI: 10.7270/Q2VM4G54
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