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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50045089'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Integrase


(Human immunodeficiency virus 1)		BDBM50045089
PNG
(CHEMBL3310080)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC2CC2)c1=O
Show InChI InChI=1S/C23H23FN4O4/c1-25-22(31)19-21(30)20-17(28(23(19)32)12-18(29)26-10-14-2-3-14)9-15(11-27-20)8-13-4-6-16(24)7-5-13/h4-7,9,11,14,30H,2-3,8,10,12H2,1H3,(H,25,31)(H,26,29)
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Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay

Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair