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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50045083'   
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)		BDBM50045083
PNG
(CHEMBL3310085)
Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC2CC2)c1=O
Show InChI InChI=1S/C23H23FN4O4/c1-27(2)18(29)12-28-17-10-14(9-13-3-5-15(24)6-4-13)11-25-20(17)21(30)19(23(28)32)22(31)26-16-7-8-16/h3-6,10-11,16,30H,7-9,12H2,1-2H3,(H,26,31)
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UniProtKB/TrEMBL

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PC sid
UniChem

Similars
Article
PubMed
n/an/a 3n/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