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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Farnesyl pyrophosphate synthase' and Ligand = 'BDBM25290'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM25290
PNG
(CHEMBL56073 | bisphosphonate, 39 | {1-hydroxy-3-[m...)
Show SMILES CN(CCCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H25NO7P2/c1-15(11-6-5-9-13-7-3-2-4-8-13)12-10-14(16,23(17,18)19)24(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)
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Article
PubMed
46n/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
3D
3D Structure (docked)
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM25290
PNG
(CHEMBL56073 | bisphosphonate, 39 | {1-hydroxy-3-[m...)
Show SMILES CN(CCCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H25NO7P2/c1-15(11-6-5-9-13-7-3-2-4-8-13)12-10-14(16,23(17,18)19)24(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Negative logarithm of inhibitory concentration against bone resorption


J Med Chem 46: 2932-44 (2003)


Article DOI: 10.1021/jm030054u
BindingDB Entry DOI: 10.7270/Q2R78GHD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM25290
PNG
(CHEMBL56073 | bisphosphonate, 39 | {1-hydroxy-3-[m...)
Show SMILES CN(CCCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H25NO7P2/c1-15(11-6-5-9-13-7-3-2-4-8-13)12-10-14(16,23(17,18)19)24(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)
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Article
PubMed
n/an/a 490n/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
3D
3D Structure (docked)
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM25290
PNG
(CHEMBL56073 | bisphosphonate, 39 | {1-hydroxy-3-[m...)
Show SMILES CN(CCCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H25NO7P2/c1-15(11-6-5-9-13-7-3-2-4-8-13)12-10-14(16,23(17,18)19)24(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)
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Article
PubMed
n/an/a 490n/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
3D
3D Structure (docked)