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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Farnesyl diphosphate synthase' and Ligand = 'BDBM50373092'   
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))
BDBM50373092
PNG
(CHEMBL261311)
Show SMILES OP(O)(=O)CCc1cccnc1
Show InChI InChI=1S/C7H10NO3P/c9-12(10,11)5-3-7-2-1-4-8-6-7/h1-2,4,6H,3,5H2,(H2,9,10,11)
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Article
PubMed
1.28E+5n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50373092
PNG
(CHEMBL261311)
Show SMILES OP(O)(=O)CCc1cccnc1
Show InChI InChI=1S/C7H10NO3P/c9-12(10,11)5-3-7-2-1-4-8-6-7/h1-2,4,6H,3,5H2,(H2,9,10,11)
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PC cid
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of FPPS (unknown origin)


J Med Chem 57: 5764-76 (2014)


Article DOI: 10.1021/jm500629e
BindingDB Entry DOI: 10.7270/Q2GH9KJR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50373092
PNG
(CHEMBL261311)
Show SMILES OP(O)(=O)CCc1cccnc1
Show InChI InChI=1S/C7H10NO3P/c9-12(10,11)5-3-7-2-1-4-8-6-7/h1-2,4,6H,3,5H2,(H2,9,10,11)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>8.00E+5n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l...


J Med Chem 57: 5764-76 (2014)


Article DOI: 10.1021/jm500629e
BindingDB Entry DOI: 10.7270/Q2GH9KJR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50373092
PNG
(CHEMBL261311)
Show SMILES OP(O)(=O)CCc1cccnc1
Show InChI InChI=1S/C7H10NO3P/c9-12(10,11)5-3-7-2-1-4-8-6-7/h1-2,4,6H,3,5H2,(H2,9,10,11)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.24E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair