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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50428303   
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))
BDBM50428303
PNG
(CHEMBL2338367)
Show SMILES CCCCCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C20H40N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(19-21)18-20(23,30(24,25)26)31(27,28)29/h16-17,19,23H,2-15,18H2,1H3,(H3-,24,25,26,27,28,29)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 7.10E+3n/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
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50428303
PNG
(CHEMBL2338367)
Show SMILES CCCCCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C20H40N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(19-21)18-20(23,30(24,25)26)31(27,28)29/h16-17,19,23H,2-15,18H2,1H3,(H3-,24,25,26,27,28,29)
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 6.00E+4n/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