Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50485877'   

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)	BDBM50485877 (CHEMBL2171666) Show SMILES OCCNC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O Show InChI InChI=1S/C16H16FN3O5/c17-10-3-1-9(2-4-10)7-20-15(24)11-8-19-12(14(23)13(11)22)16(25)18-5-6-21/h1-4,8,21,23H,5-7H2,(H,18,25)(H,19,22)(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	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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