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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50076182'   
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)		BDBM50076182
PNG
(CHEMBL3415840)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C25H22FNO4/c1-2-31-25(30)24(29)14-22(28)13-10-20-16-27(15-18-8-11-21(26)12-9-18)17-23(20)19-6-4-3-5-7-19/h3-14,16-17,29H,2,15H2,1H3/b13-10+,24-14-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.10E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay

J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair