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BDBM50226002 (R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoic acid::2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoic acid::3-(3-Pyridyl)-2-hydroxy-2-phosphonopropanoic acid::CHEMBL397829

SMILES: OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O

InChI Key: InChIKey=FJVYPXVLXQXDHM-UHFFFAOYSA-N

Data: 2 KI  5 IC50

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 7 hits for monomerid = 50226002   
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 diphosphate synthase


(Homo sapiens (Human))
BDBM50226002
PNG
((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...)
Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O
Show InChI InChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)
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6.10E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50226002
PNG
((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...)
Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O
Show InChI InChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)
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9.75E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50226002
PNG
((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...)
Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O
Show InChI InChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of human FPPS after 10 mins using [14C]IPP as substrate by liquid scintillation counting


J Med Chem 53: 3454-64 (2010)

Checked by Author
Article DOI: 10.1021/jm900232u
BindingDB Entry DOI: 10.7270/Q21837FJ
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50226002
PNG
((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...)
Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O
Show InChI InChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)
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n/an/a 2.54E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50226002
PNG
((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...)
Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O
Show InChI InChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)
PDB
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Article
PubMed
n/an/a 2.54E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of human cloned FPPS expressed in Escherichia col BL2 (DE3)


J Med Chem 50: 5967-75 (2007)


Article DOI: 10.1021/jm0702884
BindingDB Entry DOI: 10.7270/Q27944DF
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50226002
PNG
((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...)
Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O
Show InChI InChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant FDPS (unknown origin) assessed as decrease in radiolabeld GGPP level using GPP and [14C]IPP as substrate treated with enzym...


Bioorg Med Chem Lett 25: 2331-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.021
BindingDB Entry DOI: 10.7270/Q2M61MZN
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50226002
PNG
((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...)
Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O
Show InChI InChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)
PDB
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Article
PubMed
n/an/a 4.67E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair