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PubMed code 18434151

Compile data set for download or QSAR
Found 2 hits of 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


(Homo sapiens (Human))
BDBM12576
PNG
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)
Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
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PC cid
PC sid
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PDB
Article
PubMed
n/an/a 5.70n/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)
Farnesyl diphosphate 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)
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PC cid
PC sid
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PDB
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)
* indicates data uncertainty>20%