Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50184681'   

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)	BDBM50184681 (CHEMBL379658 | N-(4-fluorobenzyl)-5-(4-ethyl-2,3-d...) Show SMILES CCN1CCN(C(=O)C1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C22H20FN5O4/c1-2-27-10-11-28(22(32)21(27)31)19-15-4-3-9-24-16(15)18(29)17(26-19)20(30)25-12-13-5-7-14(23)8-6-13/h3-9,29H,2,10-12H2,1H3,(H,25,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
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