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BDBM50031839 ((E)-6,10-Dimethyl-1-phosphono-undeca-5,9-dienyl)-phosphonic acid::CHEMBL286760

SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O

InChI Key: InChIKey=ISMDHWZGHKZNRH-XYOKQWHBSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50031839   
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
Squalene synthase


(Rattus norvegicus)
BDBM50031839
PNG
(((E)-6,10-Dimethyl-1-phosphono-undeca-5,9-dienyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C13H26O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)/b12-8+
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PubMed
n/an/a 1n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50031839
PNG
(((E)-6,10-Dimethyl-1-phosphono-undeca-5,9-dienyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C13H26O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)/b12-8+
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Article
n/an/a 8.00E+4n/an/an/an/an/an/a



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
Squalene synthase


(Rattus norvegicus)
BDBM50031839
PNG
(((E)-6,10-Dimethyl-1-phosphono-undeca-5,9-dienyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C13H26O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)/b12-8+
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Article
n/an/a 17n/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