Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50170591'   

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)	BDBM50170591 (CHEMBL2403116) Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4)c(=O)c(O)c3C(=O)N1CCCO2 |r| Show InChI InChI=1S/C19H18FN3O5/c20-12-4-2-11(3-5-12)8-21-18(26)13-9-22-10-14-23(6-1-7-28-14)19(27)15(22)17(25)16(13)24/h2-5,9,14,25H,1,6-8,10H2,(H,21,26)/t14-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) Article DOI: 10.1016/j.ejmech.2016.03.038 BindingDB Entry DOI: 10.7270/Q2G162R8
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