BindingDB logo
myBDB logout

BDBM50428295 CHEMBL2338359

SMILES: CCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1

InChI Key: InChIKey=MVMLQQPRQODUEQ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50428295   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428295
PNG
(CHEMBL2338359)
Show SMILES CCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C12H24N2O7P2/c1-2-3-4-5-6-7-13-8-9-14(11-13)10-12(15,22(16,17)18)23(19,20)21/h8-9,11,15H,2-7,10H2,1H3,(H3-,16,17,18,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 110n/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 diphosphate synthase


(Homo sapiens (Human))
BDBM50428295
PNG
(CHEMBL2338359)
Show SMILES CCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C12H24N2O7P2/c1-2-3-4-5-6-7-13-8-9-14(11-13)10-12(15,22(16,17)18)23(19,20)21/h8-9,11,15H,2-7,10H2,1H3,(H3-,16,17,18,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 40n/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