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PDB code 3B7L

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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 diphosphate synthase

  (353/353 = 100%)
(Homo sapiens (Human))
BDBM25308
PNG
((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...)
Show SMILES OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
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Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 25: 1117-23 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase

  (353/353 = 100%)
(Homo sapiens (Human))
BDBM25308
PNG
((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...)
Show SMILES OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
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PDB
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of human FPPS after 10 mins using [14C]IPP as substrate by liquid scintillation counting


J Med Chem 53: 3454-64 (2010)

Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output