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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 integrase' and Ligand = 'BDBM50174222'   
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50174222
PNG
(3-[3-(6,7-Dihydroxy-2-oxo-2H-chromen-3-yloxy)-4-hy...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(Oc2cc3cc(O)c(O)cc3oc2=O)c1
Show InChI InChI=1S/C18H12O8/c19-11-3-1-9(2-4-17(22)23)5-15(11)25-16-7-10-6-12(20)13(21)8-14(10)26-18(16)24/h1-8,19-21H,(H,22,23)/b4-2+
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Université des Sciences et Technologies de Lille I

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 integrase


Bioorg Med Chem Lett 15: 5053-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.091
BindingDB Entry DOI: 10.7270/Q2C24VZ4
More data for this
Ligand-Target Pair