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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Farnesyl pyrophosphate synthase' and Ligand = 'BDBM50428309'   
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))
BDBM50428309
PNG
(CHEMBL2338373)
Show SMILES CCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C10H20N2O6P2/c1-2-3-4-5-11-6-7-12(9-11)8-10(19(13,14)15)20(16,17)18/h6-7,9-10H,2-5,8H2,1H3,(H3-,13,14,15,16,17,18)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50428309
PNG
(CHEMBL2338373)
Show SMILES CCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C10H20N2O6P2/c1-2-3-4-5-11-6-7-12(9-11)8-10(19(13,14)15)20(16,17)18/h6-7,9-10H,2-5,8H2,1H3,(H3-,13,14,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair