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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'agger' and Initial = 'sa'   
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
Farnesyltransferase


(Saccharomyces cerevisiae)
BDBM50298243
PNG
((2E,6E)-8-(2-diazo-3,3,3-trifluoropropanoyloxy)-3,...)
Show SMILES C\C(CC\C=C(/C)COC(=O)[C-]([N+]#N)C(F)(F)F)=C/COP(O)(=O)OP(O)(O)=O
Show InChI InChI=1S/C13H19F3N2O9P2/c1-9(6-7-26-29(23,24)27-28(20,21)22)4-3-5-10(2)8-25-12(19)11(18-17)13(14,15)16/h5-6H,3-4,7-8H2,1-2H3,(H,23,24)(H2,20,21,22)/b9-6+,10-5+
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Article
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200n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae protein farnesyltransferase assessed as farnsylation of N-dansyl-GCVIA


Bioorg Med Chem 17: 4797-805 (2009)


Article DOI: 10.1016/j.bmc.2009.04.034
BindingDB Entry DOI: 10.7270/Q2HT2PCH
More data for this
Ligand-Target Pair
Farnesyltransferase


(Saccharomyces cerevisiae)
BDBM50298245
PNG
(4-Benzoylbenzylphosphonic((2E,6E)-3,7,11-trimethyl...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(=O)Cc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H38O7P2/c1-23(2)10-8-11-24(3)12-9-13-25(4)20-21-35-38(33,34)36-37(31,32)22-26-16-18-28(19-17-26)29(30)27-14-6-5-7-15-27/h5-7,10,12,14-20H,8-9,11,13,21-22H2,1-4H3,(H,31,32)(H,33,34)/b24-12+,25-20+
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Article
PubMed
480n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae protein farnesyltransferase assessed as farnsylation of N-dansyl-GCVIA


Bioorg Med Chem 17: 4797-805 (2009)


Article DOI: 10.1016/j.bmc.2009.04.034
BindingDB Entry DOI: 10.7270/Q2HT2PCH
More data for this
Ligand-Target Pair
Farnesyltransferase


(Saccharomyces cerevisiae)
BDBM50298242
PNG
((E)-4-(3-benzoylbenzyloxy)-3-methylbut-2-enyl diph...)
Show SMILES C\C(COCc1cccc(c1)C(=O)c1ccccc1)=C/COP(O)(=O)OP(O)(O)=O
Show InChI InChI=1S/C19H22O9P2/c1-15(10-11-27-30(24,25)28-29(21,22)23)13-26-14-16-6-5-9-18(12-16)19(20)17-7-3-2-4-8-17/h2-10,12H,11,13-14H2,1H3,(H,24,25)(H2,21,22,23)/b15-10+
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610n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae protein farnesyltransferase assessed as farnsylation of N-dansyl-GCVIA


Bioorg Med Chem 17: 4797-805 (2009)


Article DOI: 10.1016/j.bmc.2009.04.034
BindingDB Entry DOI: 10.7270/Q2HT2PCH
More data for this
Ligand-Target Pair
Farnesyltransferase


(Saccharomyces cerevisiae)
BDBM50298243
PNG
((2E,6E)-8-(2-diazo-3,3,3-trifluoropropanoyloxy)-3,...)
Show SMILES C\C(CC\C=C(/C)COC(=O)[C-]([N+]#N)C(F)(F)F)=C/COP(O)(=O)OP(O)(O)=O
Show InChI InChI=1S/C13H19F3N2O9P2/c1-9(6-7-26-29(23,24)27-28(20,21)22)4-3-5-10(2)8-25-12(19)11(18-17)13(14,15)16/h5-6H,3-4,7-8H2,1-2H3,(H,23,24)(H2,20,21,22)/b9-6+,10-5+
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n/an/a 720n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae protein farnesyltransferase assessed as farnsylation of N-dansyl-GCVIA


Bioorg Med Chem 17: 4797-805 (2009)


Article DOI: 10.1016/j.bmc.2009.04.034
BindingDB Entry DOI: 10.7270/Q2HT2PCH
More data for this
Ligand-Target Pair
Farnesyltransferase


(Saccharomyces cerevisiae)
BDBM50298245
PNG
(4-Benzoylbenzylphosphonic((2E,6E)-3,7,11-trimethyl...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(=O)Cc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H38O7P2/c1-23(2)10-8-11-24(3)12-9-13-25(4)20-21-35-38(33,34)36-37(31,32)22-26-16-18-28(19-17-26)29(30)27-14-6-5-7-15-27/h5-7,10,12,14-20H,8-9,11,13,21-22H2,1-4H3,(H,31,32)(H,33,34)/b24-12+,25-20+
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae protein farnesyltransferase assessed as farnsylation of N-dansyl-GCVIA


Bioorg Med Chem 17: 4797-805 (2009)


Article DOI: 10.1016/j.bmc.2009.04.034
BindingDB Entry DOI: 10.7270/Q2HT2PCH
More data for this
Ligand-Target Pair
Farnesyltransferase


(Saccharomyces cerevisiae)
BDBM50298242
PNG
((E)-4-(3-benzoylbenzyloxy)-3-methylbut-2-enyl diph...)
Show SMILES C\C(COCc1cccc(c1)C(=O)c1ccccc1)=C/COP(O)(=O)OP(O)(O)=O
Show InChI InChI=1S/C19H22O9P2/c1-15(10-11-27-30(24,25)28-29(21,22)23)13-26-14-16-6-5-9-18(12-16)19(20)17-7-3-2-4-8-17/h2-10,12H,11,13-14H2,1H3,(H,24,25)(H2,21,22,23)/b15-10+
KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae protein farnesyltransferase assessed as farnsylation of N-dansyl-GCVIA


Bioorg Med Chem 17: 4797-805 (2009)


Article DOI: 10.1016/j.bmc.2009.04.034
BindingDB Entry DOI: 10.7270/Q2HT2PCH
More data for this
Ligand-Target Pair
Farnesyltransferase


(Saccharomyces cerevisiae)
BDBM50298244
PNG
(3-Benzoylbenzylphosphonic((2E,6E)-3,7,11-trimethyl...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(=O)Cc1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H38O7P2/c1-23(2)11-8-12-24(3)13-9-14-25(4)19-20-35-38(33,34)36-37(31,32)22-26-15-10-18-28(21-26)29(30)27-16-6-5-7-17-27/h5-7,10-11,13,15-19,21H,8-9,12,14,20,22H2,1-4H3,(H,31,32)(H,33,34)/b24-13+,25-19+
KEGG

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Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae protein farnesyltransferase assessed as farnsylation of N-dansyl-GCVIA


Bioorg Med Chem 17: 4797-805 (2009)


Article DOI: 10.1016/j.bmc.2009.04.034
BindingDB Entry DOI: 10.7270/Q2HT2PCH
More data for this
Ligand-Target Pair