Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50045080'   

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)	BDBM50045080 (CHEMBL3310082) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCCOC)c1=O Show InChI InChI=1S/C22H23FN4O5/c1-24-21(30)18-20(29)19-16(27(22(18)31)12-17(28)25-7-8-32-2)10-14(11-26-19)9-13-3-5-15(23)6-4-13/h3-6,10-11,29H,7-9,12H2,1-2H3,(H,24,30)(H,25,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
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