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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Farnesyl diphosphate synthase' and Ligand = 'BDBM50225998'   
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


(Homo sapiens (Human))
BDBM50225998
PNG
(2-chloro-3-(3-pyridinyl)-2-phosphonopropionic acid...)
Show SMILES OC(=O)C(Cl)(Cc1cccnc1)P(O)(O)=O |w:3.3|
Show InChI InChI=1S/C8H9ClNO5P/c9-8(7(11)12,16(13,14)15)4-6-2-1-3-10-5-6/h1-3,5H,4H2,(H,11,12)(H2,13,14,15)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of human cloned FPPS expressed in Escherichia col BL2 (DE3)


J Med Chem 50: 5967-75 (2007)


Article DOI: 10.1021/jm0702884
BindingDB Entry DOI: 10.7270/Q27944DF
More data for this
Ligand-Target Pair