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SMILES: CC(C)Oc1ccc(cc1)-c1cncc(NC(P(O)(O)=O)P(O)(O)=O)c1

InChI Key: InChIKey=AEYMCQCOKHXTEC-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50421093   
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 pyrophosphate synthase


(Homo sapiens (Human))
BDBM50421093
PNG
(CHEMBL2088338)
Show SMILES CC(C)Oc1ccc(cc1)-c1cncc(NC(P(O)(O)=O)P(O)(O)=O)c1
Show InChI InChI=1S/C15H20N2O7P2/c1-10(2)24-14-5-3-11(4-6-14)12-7-13(9-16-8-12)17-15(25(18,19)20)26(21,22)23/h3-10,15,17H,1-2H3,(H2,18,19,20)(H2,21,22,23)
PDB
MMDB

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Article
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n/an/a 60n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli BL21(DE3) using GPP and [3H]IPP as substrate incubated for 5 mins prio...


Bioorg Med Chem 20: 5583-91 (2012)


Article DOI: 10.1016/j.bmc.2012.07.019
BindingDB Entry DOI: 10.7270/Q2J67J6M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)