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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50480404'   
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)
BDBM50480404
PNG
(CHEMBL560960)
Show SMILES OC(=O)c1c[nH]c2ccc(Cc3cccc(Cl)c3)cc2c1=O
Show InChI InChI=1S/C17H12ClNO3/c18-12-3-1-2-10(7-12)6-11-4-5-15-13(8-11)16(20)14(9-19-15)17(21)22/h1-5,7-9H,6H2,(H,19,20)(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase


Eur J Med Chem 45: 3413-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.030
BindingDB Entry DOI: 10.7270/Q2125WGJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50480404
PNG
(CHEMBL560960)
Show SMILES OC(=O)c1c[nH]c2ccc(Cc3cccc(Cl)c3)cc2c1=O
Show InChI InChI=1S/C17H12ClNO3/c18-12-3-1-2-10(7-12)6-11-4-5-15-13(8-11)16(20)14(9-19-15)17(21)22/h1-5,7-9H,6H2,(H,19,20)(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



JT Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 52: 4869-82 (2009)


Article DOI: 10.1021/jm900460z
BindingDB Entry DOI: 10.7270/Q2GT5R07
More data for this
Ligand-Target Pair