Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50485873'   

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)	BDBM50485873 (CHEMBL2171665) Show SMILES COCCNC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O Show InChI InChI=1S/C17H18FN3O5/c1-26-7-6-19-17(25)13-15(23)14(22)12(9-20-13)16(24)21-8-10-2-4-11(18)5-3-10/h2-5,9,23H,6-8H2,1H3,(H,19,25)(H,20,22)(H,21,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...				J Med Chem 55: 8735-44 (2012) Article DOI: 10.1021/jm3010459 BindingDB Entry DOI: 10.7270/Q27M0BTW
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