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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50020264'   
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)
BDBM50020264
PNG
(CHEMBL3288821)
Show SMILES On1c2ncccc2c(NC2CCCCCC2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C23H24F2N4O3/c24-15-10-9-14(18(25)12-15)13-27-22(30)19-20(28-16-6-3-1-2-4-7-16)17-8-5-11-26-21(17)29(32)23(19)31/h5,8-12,16,28,32H,1-4,6-7,13H2,(H,27,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate


J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50020264
PNG
(CHEMBL3288821)
Show SMILES On1c2ncccc2c(NC2CCCCCC2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C23H24F2N4O3/c24-15-10-9-14(18(25)12-15)13-27-22(30)19-20(28-16-6-3-1-2-4-7-16)17-8-5-11-26-21(17)29(32)23(19)31/h5,8-12,16,28,32H,1-4,6-7,13H2,(H,27,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate


J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair