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BDBM50290250 CHEMBL81657::tripotassium 2,4,6-trioxo-3,3-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1,2,4,6-oxatriphosphinane-2,4,6-tris(olate)

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C1([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])P([#8-])(=O)[#8]P([#8-])(=O)[#6]=P1([#8])[#8-]

InChI Key: InChIKey=OYUMHIGQVFXYRU-NLWVVMTCSA-L

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50290250   
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)


(Homo sapiens (Human))
BDBM50290250
PNG
(CHEMBL81657 | tripotassium 2,4,6-trioxo-3,3-bis[(2...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)P([O-])(=O)OP([O-])(=O)C=P1(O)[O-]
Show InChI InChI=1S/C32H54O7P3/c1-26(2)13-9-15-28(5)17-11-19-30(7)21-23-32(40(33,34)25-41(35,36)39-42(32,37)38)24-22-31(8)20-12-18-29(6)16-10-14-27(3)4/h13-14,17-18,21-22,25H,9-12,15-16,19-20,23-24H2,1-8H3,(H3-,33,34,35,36,37,38)/q-1/p-2/b28-17+,29-18+,30-21+,31-22+
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PC cid
PC sid
UniChem

Similars

Article
n/an/a 5.62E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Farnesyl Transferase


Bioorg Med Chem Lett 7: 2435-2440 (1997)


Article DOI: 10.1016/S0960-894X(97)00448-4
BindingDB Entry DOI: 10.7270/Q2SN08Z5
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens (Human))
BDBM50290250
PNG
(CHEMBL81657 | tripotassium 2,4,6-trioxo-3,3-bis[(2...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)P([O-])(=O)OP([O-])(=O)C=P1(O)[O-]
Show InChI InChI=1S/C32H54O7P3/c1-26(2)13-9-15-28(5)17-11-19-30(7)21-23-32(40(33,34)25-41(35,36)39-42(32,37)38)24-22-31(8)20-12-18-29(6)16-10-14-27(3)4/h13-14,17-18,21-22,25H,9-12,15-16,19-20,23-24H2,1-8H3,(H3-,33,34,35,36,37,38)/q-1/p-2/b28-17+,29-18+,30-21+,31-22+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Squalene Synthase


Bioorg Med Chem Lett 7: 2435-2440 (1997)


Article DOI: 10.1016/S0960-894X(97)00448-4
BindingDB Entry DOI: 10.7270/Q2SN08Z5
More data for this
Ligand-Target Pair