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Compile Data Set for Download or QSAR

Found 10 hits of kd for UniProtKB: P05369   
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


(Rattus norvegicus)
BDBM50559034
PNG
(CHEMBL4785030)
Show SMILES COc1ccccc1CN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1
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PC sid
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Article
PubMed
n/an/an/a 1.43E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat FPPS expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111905
BindingDB Entry DOI: 10.7270/Q2GB27RX
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Rattus norvegicus)
BDBM50559030
PNG
(CHEMBL4748453)
Show SMILES C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)\C=N\NC(=O)COc1ccc(Cl)cc1Cl |r|
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n/an/an/a 2.57E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat FPPS expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111905
BindingDB Entry DOI: 10.7270/Q2GB27RX
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Rattus norvegicus)
BDBM50466400
PNG
(CHEMBL1818656)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.81E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat FPPS expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111905
BindingDB Entry DOI: 10.7270/Q2GB27RX
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Rattus norvegicus)
BDBM50559036
PNG
(CHEMBL4794885)
Show SMILES Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc2c3CCCCCc3c(=O)oc12 |r|
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n/an/an/a 5.38E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat FPPS expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111905
BindingDB Entry DOI: 10.7270/Q2GB27RX
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Rattus norvegicus)
BDBM50559031
PNG
(CHEMBL2137967)
Show SMILES CC(C)Oc1ccc(CNC(=O)C2CCCN(C2)S(=O)(=O)N2CCOCC2)cc1
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PC cid
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PubMed
n/an/an/a 7.20E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat FPPS expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111905
BindingDB Entry DOI: 10.7270/Q2GB27RX
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Rattus norvegicus)
BDBM50559035
PNG
(CHEMBL4764217)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)[C@H](O)[C@@H](O)[C@@H]1O |r|
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PC sid
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n/an/an/a 1.06E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat FPPS expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111905
BindingDB Entry DOI: 10.7270/Q2GB27RX
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Rattus norvegicus)
BDBM50559037
PNG
(CHEMBL4753538)
Show SMILES OC1(CC(=O)CC2(O)C(=O)Nc3ccccc23)C(=O)Nc2ccccc12
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.81E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat FPPS expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111905
BindingDB Entry DOI: 10.7270/Q2GB27RX
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Rattus norvegicus)
BDBM50245886
PNG
(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1
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CHEMBL
MCE
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.28E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat FPPS expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111905
BindingDB Entry DOI: 10.7270/Q2GB27RX
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Rattus norvegicus)
BDBM50559033
PNG
(CHEMBL4761604)
Show SMILES CNS(=O)(=O)c1cn(CC(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)NC
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PC cid
PC sid
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PubMed
n/an/an/a 4.42E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat FPPS expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111905
BindingDB Entry DOI: 10.7270/Q2GB27RX
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Rattus norvegicus)
BDBM50559032
PNG
(CHEMBL1596034)
Show SMILES CCC(C)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.99E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat FPPS expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111905
BindingDB Entry DOI: 10.7270/Q2GB27RX
More data for this
Ligand-Target Pair