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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50273902   
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)
BDBM50273902
PNG
(CHEMBL4126659)
Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O
Show InChI InChI=1S/C22H27FN4O5S/c1-26(2)33(31,32)16-12-15(23)7-6-14(16)13-24-19(29)17-18(28)20(30)27-11-5-10-22(21(27)25-17)8-3-4-9-22/h6-7,12,28H,3-5,8-11,13H2,1-2H3,(H,24,29)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity assessed as reduction in viral replication in presence of 10% fetal bovine serum


Bioorg Med Chem Lett 28: 2124-2130 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.027
BindingDB Entry DOI: 10.7270/Q2BK1FVJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50273902
PNG
(CHEMBL4126659)
Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O
Show InChI InChI=1S/C22H27FN4O5S/c1-26(2)33(31,32)16-12-15(23)7-6-14(16)13-24-19(29)17-18(28)20(30)27-11-5-10-22(21(27)25-17)8-3-4-9-22/h6-7,12,28H,3-5,8-11,13H2,1-2H3,(H,24,29)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 27n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity assessed as reduction in viral replication in presence of 10% fetal bovine serum and 10% human...


Bioorg Med Chem Lett 28: 2124-2130 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.027
BindingDB Entry DOI: 10.7270/Q2BK1FVJ
More data for this
Ligand-Target Pair