Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50490453'   

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))	BDBM50490453 (CHEMBL2325978) Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CNCC(=O)Nc1nnc(s1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H33N5O7S2/c1-12(2)32-18(29)8-6-4-3-5-7-13-14(16(27)9-15(13)26)10-22-11-17(28)23-19-24-25-20(33-19)34(21,30)31/h3,5,12-16,22,26-27H,4,6-11H2,1-2H3,(H2,21,30,31)(H,23,24,28)/b5-3-/t13-,14-,15+,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	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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