Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50479613'   

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
Integrase (Human immunodeficiency virus 1)	BDBM50479613 (CHEMBL448543) Show SMILES COc1cc(\C=C\C(=O)OC2CC3CCC2(C)C3(C)C)cc(Cl)c1O |THB:9:10:17:14.13| Show InChI InChI=1S/C20H25ClO4/c1-19(2)13-7-8-20(19,3)16(11-13)25-17(22)6-5-12-9-14(21)18(23)15(10-12)24-4/h5-6,9-10,13,16,23H,7-8,11H2,1-4H3/b6-5+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase by ELISA				Bioorg Med Chem Lett 18: 6553-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.046 BindingDB Entry DOI: 10.7270/Q2KW5JT4
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