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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50479324'   
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)		BDBM50479324
PNG
(CHEMBL476357)
Show SMILES CN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
Show InChI InChI=1S/C21H19FN4O3/c1-26-11-13(9-16(26)27)17-15-3-2-8-23-18(15)20(28)19(25-17)21(29)24-10-12-4-6-14(22)7-5-12/h2-8,13,28H,9-11H2,1H3,(H,24,29)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate

Bioorg Med Chem Lett 18: 5307-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.038
BindingDB Entry DOI: 10.7270/Q2TH8QG7
More data for this
Ligand-Target Pair