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BDBM50263675 4-fluoro-N-(2-oxo-2-(phenyl(o-tolyl)methylamino)ethyl)benzamide::CHEMBL476775

SMILES: Cc1ccccc1C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1

InChI Key: InChIKey=PFYPNHSILULSMN-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50263675   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycine transporter 2


(Homo sapiens (Human))
BDBM50263675
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(o-tolyl)methylamino)et...)
Show SMILES Cc1ccccc1C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-5-6-10-20(16)22(17-8-3-2-4-9-17)26-21(27)15-25-23(28)18-11-13-19(24)14-12-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263675
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(o-tolyl)methylamino)et...)
Show SMILES Cc1ccccc1C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-5-6-10-20(16)22(17-8-3-2-4-9-17)26-21(27)15-25-23(28)18-11-13-19(24)14-12-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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Article
PubMed
n/an/an/an/a 4.05E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50263675
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(o-tolyl)methylamino)et...)
Show SMILES Cc1ccccc1C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-5-6-10-20(16)22(17-8-3-2-4-9-17)26-21(27)15-25-23(28)18-11-13-19(24)14-12-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50263675
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(o-tolyl)methylamino)et...)
Show SMILES Cc1ccccc1C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-5-6-10-20(16)22(17-8-3-2-4-9-17)26-21(27)15-25-23(28)18-11-13-19(24)14-12-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50263675
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(o-tolyl)methylamino)et...)
Show SMILES Cc1ccccc1C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-5-6-10-20(16)22(17-8-3-2-4-9-17)26-21(27)15-25-23(28)18-11-13-19(24)14-12-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
PDB
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Reactome pathway
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UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair