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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Farnesyl pyrophosphate synthase' and Ligand = 'BDBM50135837'   
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))
BDBM50135837
PNG
((Phosphono-piperidin-1-yl-methyl)-phosphonic acid ...)
Show SMILES OP(O)(=O)C(N1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C6H15NO6P2/c8-14(9,10)6(15(11,12)13)7-4-2-1-3-5-7/h6H,1-5H2,(H2,8,9,10)(H2,11,12,13)
PDB
MMDB

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Article
PubMed
300n/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
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50135837
PNG
((Phosphono-piperidin-1-yl-methyl)-phosphonic acid ...)
Show SMILES OP(O)(=O)C(N1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C6H15NO6P2/c8-14(9,10)6(15(11,12)13)7-4-2-1-3-5-7/h6H,1-5H2,(H2,8,9,10)(H2,11,12,13)
PDB
MMDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 3.20E+3n/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
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50135837
PNG
((Phosphono-piperidin-1-yl-methyl)-phosphonic acid ...)
Show SMILES OP(O)(=O)C(N1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C6H15NO6P2/c8-14(9,10)6(15(11,12)13)7-4-2-1-3-5-7/h6H,1-5H2,(H2,8,9,10)(H2,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.24E+3n/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