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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50484524'   
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)		BDBM50484524
PNG
(CHEMBL1928163)
Show SMILES COc1ccc(cc1OC)C(\O)=C\C(=O)c1nnn(Cc2cccc(F)c2)c1C
Show InChI InChI=1S/C21H20FN3O4/c1-13-21(23-24-25(13)12-14-5-4-6-16(22)9-14)18(27)11-17(26)15-7-8-19(28-2)20(10-15)29-3/h4-11,26H,12H2,1-3H3/b17-11-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair