Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50045100'   

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)	BDBM50045100 (CHEMBL3310076) Show SMILES CCCNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC)c1=O Show InChI InChI=1S/C22H23FN4O4/c1-3-8-25-17(28)12-27-16-10-14(9-13-4-6-15(23)7-5-13)11-26-19(16)20(29)18(22(27)31)21(30)24-2/h4-7,10-11,29H,3,8-9,12H2,1-2H3,(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	9.20	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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