Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50490458'   

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))	BDBM50490458 (CHEMBL2325975) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)NCCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C28H44N2O6S/c1-2-3-6-9-22(31)14-17-25-24(26(32)20-27(25)33)10-7-4-5-8-11-28(34)30-19-18-21-12-15-23(16-13-21)37(29,35)36/h4,7,12-17,22,24-27,31-33H,2-3,5-6,8-11,18-20H2,1H3,(H,30,34)(H2,29,35,36)/b7-4-,17-14+/t22-,24+,25+,26-,27+/m0/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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