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SMILES: OC(C1CCc2ccncc12)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=WBALRBOBYFLYPZ-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 = 50377836   
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))
BDBM50377836
PNG
(CHEMBL317573)
Show SMILES OC(C1CCc2ccncc12)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H13NO7P2/c11-9(18(12,13)14,19(15,16)17)8-2-1-6-3-4-10-5-7(6)8/h3-5,8,11H,1-2H2,(H2,12,13,14)(H2,15,16,17)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 630n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 2878-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.088
BindingDB Entry DOI: 10.7270/Q2WM1F9P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)