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BDBM50079022 HP2O7(3-)::diphosphate::diphosphate(3-)::hydrogen diphosphate

SMILES: OP([O-])(=O)OP([O-])([O-])=O

InChI Key: InChIKey=XPPKVPWEQAFLFU-UHFFFAOYSA-K

Data: 5 KI  2 IC50

PDB links: 230 PDB IDs match this monomer.

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 = 50079022   
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))
BDBM50079022
PNG
(HP2O7(3-) | diphosphate | diphosphate(3-) | hydrog...)
Show SMILES OP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
PDB
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Article
PubMed
2.98E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50079022
PNG
(HP2O7(3-) | diphosphate | diphosphate(3-) | hydrog...)
Show SMILES OP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
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Article
PubMed
4.05E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ornithine carbamoyltransferase


(Homo sapiens)
BDBM50079022
PNG
(HP2O7(3-) | diphosphate | diphosphate(3-) | hydrog...)
Show SMILES OP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
PDB
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Article
PubMed
2.40E+5n/an/an/an/an/an/an/an/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM maleate, 0.5 m...


J Med Chem 42: 2633-40 (1999)

More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
BDBM50079022
PNG
(HP2O7(3-) | diphosphate | diphosphate(3-) | hydrog...)
Show SMILES OP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
PDB
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Article
PubMed
8.90E+5n/an/an/an/an/an/an/an/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)

More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
BDBM50079022
PNG
(HP2O7(3-) | diphosphate | diphosphate(3-) | hydrog...)
Show SMILES OP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
PDB
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Article
PubMed
2.00E+6n/an/an/an/an/an/an/an/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)

More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50079022
PNG
(HP2O7(3-) | diphosphate | diphosphate(3-) | hydrog...)
Show SMILES OP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
PDB
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Article
PubMed
n/an/a 2.43E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50079022
PNG
(HP2O7(3-) | diphosphate | diphosphate(3-) | hydrog...)
Show SMILES OP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
PDB
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PDB
Article
PubMed
n/an/a 1.81E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)