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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50013747   
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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134315
PNG
(7-hydroxy-11-hydroxymethyl-12-methyl-14,15-dithia-...)
Show SMILES CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3 |r,c:8,t:6,THB:12:13:1.2:19.20,15:14:1.2:19.20|
Show InChI InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-GGPP incorporation into recombinant human Ha-Ras-CVLL by Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134315
PNG
(7-hydroxy-11-hydroxymethyl-12-methyl-14,15-dithia-...)
Show SMILES CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3 |r,c:8,t:6,THB:12:13:1.2:19.20,15:14:1.2:19.20|
Show InChI InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human Ha-Ras-CVLS by farnesyl transferase


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134312
PNG
(CHEMBL120863 | Thioacetic acid S-(9-methoxy-2-meth...)
Show SMILES COc1cccc2n3c(cc12)C(=O)N(C)C(SC(C)=O)C3=O
Show InChI InChI=1S/C15H14N2O4S/c1-8(18)22-15-14(20)17-10-5-4-6-12(21-3)9(10)7-11(17)13(19)16(15)2/h4-7,15H,1-3H3
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n/an/a 9.03E+4n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-GGPP incorporation into recombinant human Ha-Ras-CVLL by Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134310
PNG
(9-Methoxy-2-methyl-2,3,10,10a-tetrahydro-pyrazino[...)
Show SMILES COc1cccc2N3C(Cc12)C(=O)N(C)CC3=O
Show InChI InChI=1S/C13H14N2O3/c1-14-7-12(16)15-9-4-3-5-11(18-2)8(9)6-10(15)13(14)17/h3-5,10H,6-7H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-GGPP incorporation into recombinant human Ha-Ras-CVLL by Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134313
PNG
(2-Methyl-2,3-dihydro-pyrazino[1,2-a]indole-1,4-dio...)
Show SMILES CN1CC(=O)n2c(cc3ccccc23)C1=O
Show InChI InChI=1S/C12H10N2O2/c1-13-7-11(15)14-9-5-3-2-4-8(9)6-10(14)12(13)16/h2-6H,7H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-GGPP incorporation into recombinant human Ha-Ras-CVLL by Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134311
PNG
(3-Benzyldisulfanyl-9-methoxy-2-methyl-2,3-dihydro-...)
Show SMILES COc1cccc2n3c(cc12)C(=O)N(C)C(SSCc1ccccc1)C3=O
Show InChI InChI=1S/C20H18N2O3S2/c1-21-18(23)16-11-14-15(9-6-10-17(14)25-2)22(16)19(24)20(21)27-26-12-13-7-4-3-5-8-13/h3-11,20H,12H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-GGPP incorporation into recombinant human Ha-Ras-CVLL by Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134310
PNG
(9-Methoxy-2-methyl-2,3,10,10a-tetrahydro-pyrazino[...)
Show SMILES COc1cccc2N3C(Cc12)C(=O)N(C)CC3=O
Show InChI InChI=1S/C13H14N2O3/c1-14-7-12(16)15-9-4-3-5-11(18-2)8(9)6-10(15)13(14)17/h3-5,10H,6-7H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human Ha-Ras-CVLS by farnesyl transferase


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134311
PNG
(3-Benzyldisulfanyl-9-methoxy-2-methyl-2,3-dihydro-...)
Show SMILES COc1cccc2n3c(cc12)C(=O)N(C)C(SSCc1ccccc1)C3=O
Show InChI InChI=1S/C20H18N2O3S2/c1-21-18(23)16-11-14-15(9-6-10-17(14)25-2)22(16)19(24)20(21)27-26-12-13-7-4-3-5-8-13/h3-11,20H,12H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human Ha-Ras-CVLS by farnesyl transferase


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134314
PNG
(9-Methoxy-2-methyl-2,3-dihydro-pyrazino[1,2-a]indo...)
Show SMILES COc1cccc2n3c(cc12)C(=O)N(C)CC3=O
Show InChI InChI=1S/C13H12N2O3/c1-14-7-12(16)15-9-4-3-5-11(18-2)8(9)6-10(15)13(14)17/h3-6H,7H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human Ha-Ras-CVLS by farnesyl transferase


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134313
PNG
(2-Methyl-2,3-dihydro-pyrazino[1,2-a]indole-1,4-dio...)
Show SMILES CN1CC(=O)n2c(cc3ccccc23)C1=O
Show InChI InChI=1S/C12H10N2O2/c1-13-7-11(15)14-9-5-3-2-4-8(9)6-10(14)12(13)16/h2-6H,7H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human Ha-Ras-CVLS by farnesyl transferase


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134308
PNG
(3-Benzyldisulfanyl-2-methyl-2,3-dihydro-pyrazino[1...)
Show SMILES CN1C(SSCc2ccccc2)C(=O)n2c(cc3ccccc23)C1=O
Show InChI InChI=1S/C19H16N2O2S2/c1-20-17(22)16-11-14-9-5-6-10-15(14)21(16)18(23)19(20)25-24-12-13-7-3-2-4-8-13/h2-11,19H,12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human Ha-Ras-CVLS by farnesyl transferase


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134314
PNG
(9-Methoxy-2-methyl-2,3-dihydro-pyrazino[1,2-a]indo...)
Show SMILES COc1cccc2n3c(cc12)C(=O)N(C)CC3=O
Show InChI InChI=1S/C13H12N2O3/c1-14-7-12(16)15-9-4-3-5-11(18-2)8(9)6-10(15)13(14)17/h3-6H,7H2,1-2H3
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Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-GGPP incorporation into recombinant human Ha-Ras-CVLL by Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134309
PNG
(2-Methyl-2,3,10,10a-tetrahydro-pyrazino[1,2-a]indo...)
Show SMILES CN1CC(=O)N2C(Cc3ccccc23)C1=O
Show InChI InChI=1S/C12H12N2O2/c1-13-7-11(15)14-9-5-3-2-4-8(9)6-10(14)12(13)16/h2-5,10H,6-7H2,1H3
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Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-GGPP incorporation into recombinant human Ha-Ras-CVLL by Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134308
PNG
(3-Benzyldisulfanyl-2-methyl-2,3-dihydro-pyrazino[1...)
Show SMILES CN1C(SSCc2ccccc2)C(=O)n2c(cc3ccccc23)C1=O
Show InChI InChI=1S/C19H16N2O2S2/c1-20-17(22)16-11-14-9-5-6-10-15(14)21(16)18(23)19(20)25-24-12-13-7-3-2-4-8-13/h2-11,19H,12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-GGPP incorporation into recombinant human Ha-Ras-CVLL by Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134309
PNG
(2-Methyl-2,3,10,10a-tetrahydro-pyrazino[1,2-a]indo...)
Show SMILES CN1CC(=O)N2C(Cc3ccccc23)C1=O
Show InChI InChI=1S/C12H12N2O2/c1-13-7-11(15)14-9-5-3-2-4-8(9)6-10(14)12(13)16/h2-5,10H,6-7H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human Ha-Ras-CVLS by farnesyl transferase


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134312
PNG
(CHEMBL120863 | Thioacetic acid S-(9-methoxy-2-meth...)
Show SMILES COc1cccc2n3c(cc12)C(=O)N(C)C(SC(C)=O)C3=O
Show InChI InChI=1S/C15H14N2O4S/c1-8(18)22-15-14(20)17-10-5-4-6-12(21-3)9(10)7-11(17)13(19)16(15)2/h4-7,15H,1-3H3
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n/an/a 7.48E+5n/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human Ha-Ras-CVLS by farnesyl transferase


Bioorg Med Chem Lett 13: 3661-3 (2003)


BindingDB Entry DOI: 10.7270/Q2CF9PHX
More data for this
Ligand-Target Pair