BDBM25313 (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid::Alendronate::CHEMBL870::bisphosphonate, 65

SMILES NCCCC(O)(P(O)(O)=O)P(O)(O)=O

InChI Key InChIKey=OGSPWJRAVKPPFI-UHFFFAOYSA-N

Data  6 KI  10 IC50

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 25313   

TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataKi:  44.2nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetFarnesyl pyrophosphate synthase(Leishmania major)
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataKi:  91nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataKi:  91nMAssay Description:Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPolyprenyl synthetase family protein(Plasmodium falciparum (isolate 3D7))
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataKi:  95nMAssay Description:Binding affinity towards Farnesyl diphosphate synthase from leishmania majorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataKi:  393nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHypoxanthine-guanine phosphoribosyltransferase(Trypanosoma brucei brucei)
Universidad De Buenos Aires

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataKi:  1.89E+5nMAssay Description:Inhibition of hypoxanthine-guanine phosphoribosyltransferase (TcHPRT)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataIC50:  950nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataIC50:  460nMAssay Description:Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated guinea pig tracheaMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataIC50:  50nMAssay Description:Inhibitory activity against the human recombinant FPPSase(Farnesyl diphosphate) enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataIC50:  260nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataIC50:  4.40E+5nMAssay Description:Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Tarbiat Modares University

LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataIC50:  2.75E+7nMpH: 7.4 T: 2°CAssay Description:The reaction was carried out at 37°C in 70 mM phosphate buffer (Na2HPO4/NaH2PO4, pH 7.4) containing the enzyme (20 μl volume, diluted 100 times ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataIC50:  4.37E+5nMAssay Description:The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataIC50:  955nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataIC50:  50nMAssay Description:Inhibition of recombinant human FPPS expressed in Escherichia coli by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM25313((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Affinity DataIC50:  2.25E+3nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank