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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50489270'   
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)		BDBM50489270
PNG
(CHEMBL2316113)
Show SMILES CSCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
Show InChI InChI=1S/C19H18FN3O3S/c1-27-7-6-21-18(25)15-17(24)16-14(23-19(15)26)9-12(10-22-16)8-11-2-4-13(20)5-3-11/h2-5,9-10H,6-8H2,1H3,(H,21,25)(H2,23,24,26)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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