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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50479616'   
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)
BDBM50479616
PNG
(CHEMBL474595)
Show SMILES COc1c(O)ccc(\C=C\C(=O)OC2CC3CCC2(C)C3(C)C)c1[N+]([O-])=O |THB:12:13:20:17.16|
Show InChI InChI=1S/C20H25NO6/c1-19(2)13-9-10-20(19,3)15(11-13)27-16(23)8-6-12-5-7-14(22)18(26-4)17(12)21(24)25/h5-8,13,15,22H,9-11H2,1-4H3/b8-6+
PDB

UniProtKB/TrEMBL

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



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase by ELISA


Bioorg Med Chem Lett 18: 6553-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.046
BindingDB Entry DOI: 10.7270/Q2KW5JT4
More data for this
Ligand-Target Pair