BDBM50098383 (6-amino-1-hydroxy-1-phosphono-hexyl)-phosphonic acid::6-Hydroxy-6,6-bis-phosphono-hexyl-ammonium::6-amino-1-hydroxyhexane-1,1-diyldiphosphonic acid::6-aminohexane-1-hydroxy-1,1-bisphosphonate::CHEMBL55214::Neridronic acid

SMILES C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN

InChI Key InChIKey=PUUSSSIBPPTKTP-UHFFFAOYSA-N

Data  3 KI  5 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50098383   

TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098383(6-aminohexane-1-hydroxy-1,1-bisphosphonate | 6-Hyd...)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGeranylgeranyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098383(6-aminohexane-1-hydroxy-1,1-bisphosphonate | 6-Hyd...)
Affinity DataIC50: 6.90E+5nMAssay Description:Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098383(6-aminohexane-1-hydroxy-1,1-bisphosphonate | 6-Hyd...)
Affinity DataIC50: 388nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098383(6-aminohexane-1-hydroxy-1,1-bisphosphonate | 6-Hyd...)
Affinity DataIC50: 2.43E+3nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098383(6-aminohexane-1-hydroxy-1,1-bisphosphonate | 6-Hyd...)
Affinity DataIC50: 4.57E+3nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME (M)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098383(6-aminohexane-1-hydroxy-1,1-bisphosphonate | 6-Hyd...)
Affinity DataKi:  63.5nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098383(6-aminohexane-1-hydroxy-1,1-bisphosphonate | 6-Hyd...)
Affinity DataKi:  416nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50098383(6-aminohexane-1-hydroxy-1,1-bisphosphonate | 6-Hyd...)
Affinity DataKi:  440nMAssay Description:Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed