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SMILES: CCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=SXBDBOGSDLDYIY-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50113286   
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
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50113286
PNG
((1-Hydroxy-1-phosphono-undecyl)-phosphonic acid | ...)
Show SMILES CCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O7P2/c1-2-3-4-5-6-7-8-9-10-11(12,19(13,14)15)20(16,17)18/h12H,2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
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Article
PubMed
330n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Leishmania major)
BDBM50113286
PNG
((1-Hydroxy-1-phosphono-undecyl)-phosphonic acid | ...)
Show SMILES CCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O7P2/c1-2-3-4-5-6-7-8-9-10-11(12,19(13,14)15)20(16,17)18/h12H,2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
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Article
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330n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Leishmania major FPPS expressed in Escherichia coli BL21(DE3) using GPP and [14C]IPP as substrate incubated for 15 mins by ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127577
BindingDB Entry DOI: 10.7270/Q2Z60SPV
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50113286
PNG
((1-Hydroxy-1-phosphono-undecyl)-phosphonic acid | ...)
Show SMILES CCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O7P2/c1-2-3-4-5-6-7-8-9-10-11(12,19(13,14)15)20(16,17)18/h12H,2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 3.39E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50113286
PNG
((1-Hydroxy-1-phosphono-undecyl)-phosphonic acid | ...)
Show SMILES CCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O7P2/c1-2-3-4-5-6-7-8-9-10-11(12,19(13,14)15)20(16,17)18/h12H,2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
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Article
PubMed
n/an/a 3.42E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50113286
PNG
((1-Hydroxy-1-phosphono-undecyl)-phosphonic acid | ...)
Show SMILES CCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O7P2/c1-2-3-4-5-6-7-8-9-10-11(12,19(13,14)15)20(16,17)18/h12H,2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).


J Med Chem 45: 2185-96 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0MN1
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50113286
PNG
((1-Hydroxy-1-phosphono-undecyl)-phosphonic acid | ...)
Show SMILES CCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O7P2/c1-2-3-4-5-6-7-8-9-10-11(12,19(13,14)15)20(16,17)18/h12H,2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
PDB
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Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyl Pyrophosphate Synthase was determined


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair