Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50075205'   

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)	BDBM50075205 (CHEMBL3414869) Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1 Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV integrase pre-incubated for 10 mins before DNA substrate addition				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
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