Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50184686'   

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)	BDBM50184686 (CHEMBL426686 | N-(7-{[(4-fluorobenzyl)amino]carbon...) Show SMILES CN(C)C(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C21H20FN5O4/c1-26(2)20(30)21(31)27(3)18-14-5-4-10-23-15(14)17(28)16(25-18)19(29)24-11-12-6-8-13(22)9-7-12/h4-10,28H,11H2,1-3H3,(H,24,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	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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