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BDBM50059875 (S)-3-Phenyl-2-((4E,8E)-5,9,13-trimethyl-2-phosphono-tetradeca-4,8,12-trienoylamino)-propionic acid::CHEMBL26236

SMILES: [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O

InChI Key: InChIKey=BFISLVXFTLNCFI-CLAJSITMSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50059875   
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
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50059875
PNG
((S)-3-Phenyl-2-((4E,8E)-5,9,13-trimethyl-2-phospho...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C26H38NO6P/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-24(34(31,32)33)25(28)27-23(26(29)30)18-22-14-6-5-7-15-22/h5-7,10,12,14-15,17,21,23H,8-9,11,13,16,18H2,1-4H3,(H,27,28)(H,29,30)(H2,31,32,33)/b20-12+,24-17?/t21?,23-/m0/s1
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n/an/a 83n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyl transferase


Bioorg Med Chem Lett 13: 1459-62 (2003)


BindingDB Entry DOI: 10.7270/Q2TX3DSS
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50059875
PNG
((S)-3-Phenyl-2-((4E,8E)-5,9,13-trimethyl-2-phospho...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C26H38NO6P/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-24(34(31,32)33)25(28)27-23(26(29)30)18-22-14-6-5-7-15-22/h5-7,10,12,14-15,17,21,23H,8-9,11,13,16,18H2,1-4H3,(H,27,28)(H,29,30)(H2,31,32,33)/b20-12+,24-17?/t21?,23-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity against bovine Farnesyltransferase


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50059875
PNG
((S)-3-Phenyl-2-((4E,8E)-5,9,13-trimethyl-2-phospho...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C26H38NO6P/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-24(34(31,32)33)25(28)27-23(26(29)30)18-22-14-6-5-7-15-22/h5-7,10,12,14-15,17,21,23H,8-9,11,13,16,18H2,1-4H3,(H,27,28)(H,29,30)(H2,31,32,33)/b20-12+,24-17?/t21?,23-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl protein transferase from bovine brain


Bioorg Med Chem Lett 6: 1291-1296 (1996)


Article DOI: 10.1016/0960-894X(96)00238-7
BindingDB Entry DOI: 10.7270/Q2ZC82TQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50059875
PNG
((S)-3-Phenyl-2-((4E,8E)-5,9,13-trimethyl-2-phospho...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C26H38NO6P/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-24(34(31,32)33)25(28)27-23(26(29)30)18-22-14-6-5-7-15-22/h5-7,10,12,14-15,17,21,23H,8-9,11,13,16,18H2,1-4H3,(H,27,28)(H,29,30)(H2,31,32,33)/b20-12+,24-17?/t21?,23-/m0/s1
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of farnesylation of H-Ras in DLD-1 cells


Bioorg Med Chem Lett 13: 1459-62 (2003)


BindingDB Entry DOI: 10.7270/Q2TX3DSS
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50059875
PNG
((S)-3-Phenyl-2-((4E,8E)-5,9,13-trimethyl-2-phospho...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C26H38NO6P/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-24(34(31,32)33)25(28)27-23(26(29)30)18-22-14-6-5-7-15-22/h5-7,10,12,14-15,17,21,23H,8-9,11,13,16,18H2,1-4H3,(H,27,28)(H,29,30)(H2,31,32,33)/b20-12+,24-17?/t21?,23-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase from rat liver microsomes


Bioorg Med Chem Lett 6: 1291-1296 (1996)


Article DOI: 10.1016/0960-894X(96)00238-7
BindingDB Entry DOI: 10.7270/Q2ZC82TQ
More data for this
Ligand-Target Pair