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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50489263'   
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)		BDBM50489263
PNG
(CHEMBL2316126)
Show SMILES C[C@@H](CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O |r|
Show InChI InChI=1S/C21H22FN3O4/c1-12(11-26)9-24-20(28)17-19(27)18-16(25(2)21(17)29)8-14(10-23-18)7-13-3-5-15(22)6-4-13/h3-6,8,10,12,26-27H,7,9,11H2,1-2H3,(H,24,28)/t12-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity

Bioorg Med Chem Lett 23: 422-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.071
BindingDB Entry DOI: 10.7270/Q2XK8JFB
More data for this
Ligand-Target Pair