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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50499573'   
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)
BDBM50499573
PNG
(CHEMBL3741789)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(C)cc1 |t:9|
Show InChI InChI=1S/C27H26FNO3/c1-17-4-10-22(11-5-17)29-25(19-7-12-23(32-3)13-8-19)14-20-6-9-21(28)15-24(20)26(29)16-27(31)18(2)30/h4-15,18,26,30H,16H2,1-3H3
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...


ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50499573
PNG
(CHEMBL3741789)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(C)cc1 |t:9|
Show InChI InChI=1S/C27H26FNO3/c1-17-4-10-22(11-5-17)29-25(19-7-12-23(32-3)13-8-19)14-20-6-9-21(28)15-24(20)26(29)16-27(31)18(2)30/h4-15,18,26,30H,16H2,1-3H3
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...


ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair