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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50075204'   
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)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV integrase pre-incubated for 10 mins before DNA substrate addition


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair