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PubMed code 8691462

Compile data set for download or QSAR
Found 14 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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051826
PNG
(CHEMBL27486 | [(S)-4-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H31N3OS/c1-2-3-9-19-15-25(13-12-24(19)14-18(23)16-27)22(26)21-11-6-8-17-7-4-5-10-20(17)21/h4-8,10-11,18-19,27H,2-3,9,12-16,23H2,1H3/t18-,19+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into Ha-Ras by Farnesyltransferase


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051825
PNG
(CHEMBL27141 | [(S)-4-((R)-2-Amino-3-mercapto-propy...)
Show SMILES N[C@@H](CS)CN1CCN(C[C@@H]1CCOC1CC1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H31N3O2S/c24-18(16-29)14-25-11-12-26(15-19(25)10-13-28-20-8-9-20)23(27)22-7-3-5-17-4-1-2-6-21(17)22/h1-7,18-20,29H,8-16,24H2/t18-,19+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into Ha-Ras by Farnesyltransferase


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051823
PNG
(CHEMBL275378 | [(S)-4-((R)-2-Amino-3-mercapto-prop...)
Show SMILES COCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H29N3O2S/c1-26-12-9-18-14-24(11-10-23(18)13-17(22)15-27)21(25)20-8-4-6-16-5-2-3-7-19(16)20/h2-8,17-18,27H,9-15,22H2,1H3/t17-,18+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into Ha-Ras by Farnesyltransferase


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051824
PNG
(CHEMBL283208 | [(S)-4-((R)-2-Amino-3-mercapto-prop...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc(C)c1C
Show InChI InChI=1S/C20H33N3OS/c1-4-5-8-18-13-23(11-10-22(18)12-17(21)14-25)20(24)19-9-6-7-15(2)16(19)3/h6-7,9,17-18,25H,4-5,8,10-14,21H2,1-3H3/t17-,18+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into Ha-Ras by Farnesyltransferase


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051821
PNG
(CHEMBL282379 | [(S)-4-((R)-2-Amino-3-mercapto-prop...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1ccccc1
Show InChI InChI=1S/C18H29N3OS/c1-2-3-9-17-13-21(11-10-20(17)12-16(19)14-23)18(22)15-7-5-4-6-8-15/h4-8,16-17,23H,2-3,9-14,19H2,1H3/t16-,17+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into Ha-Ras by Farnesyltransferase


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051822
PNG
(CHEMBL284424 | [(S)-4-((R)-2-Amino-3-mercapto-prop...)
Show SMILES CC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc(C)c1C
Show InChI InChI=1S/C18H29N3OS/c1-4-16-11-21(9-8-20(16)10-15(19)12-23)18(22)17-7-5-6-13(2)14(17)3/h5-7,15-16,23H,4,8-12,19H2,1-3H3/t15-,16+/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into Ha-Ras by Farnesyltransferase


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50051826
PNG
(CHEMBL27486 | [(S)-4-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H31N3OS/c1-2-3-9-19-15-25(13-12-24(19)14-18(23)16-27)22(26)21-11-6-8-17-7-4-5-10-20(17)21/h4-8,10-11,18-19,27H,2-3,9,12-16,23H2,1H3/t18-,19+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051827
PNG
(CHEMBL283697 | [4-((R)-2-Amino-3-mercapto-propyl)-...)
Show SMILES Cc1cccc(C(=O)N2CCN(C[C@@H](N)CS)CC2)c1C
Show InChI InChI=1S/C16H25N3OS/c1-12-4-3-5-15(13(12)2)16(20)19-8-6-18(7-9-19)10-14(17)11-21/h3-5,14,21H,6-11,17H2,1-2H3/t14-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into Ha-Ras by Farnesyltransferase


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50051824
PNG
(CHEMBL283208 | [(S)-4-((R)-2-Amino-3-mercapto-prop...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc(C)c1C
Show InChI InChI=1S/C20H33N3OS/c1-4-5-8-18-13-23(11-10-22(18)12-17(21)14-25)20(24)19-9-6-7-15(2)16(19)3/h6-7,9,17-18,25H,4-5,8,10-14,21H2,1-3H3/t17-,18+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50051826
PNG
(CHEMBL27486 | [(S)-4-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H31N3OS/c1-2-3-9-19-15-25(13-12-24(19)14-18(23)16-27)22(26)21-11-6-8-17-7-4-5-10-20(17)21/h4-8,10-11,18-19,27H,2-3,9,12-16,23H2,1H3/t18-,19+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of post-traslational processing of Ras protein in RAT1 cell line


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50051823
PNG
(CHEMBL275378 | [(S)-4-((R)-2-Amino-3-mercapto-prop...)
Show SMILES COCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H29N3O2S/c1-26-12-9-18-14-24(11-10-23(18)13-17(22)15-27)21(25)20-8-4-6-16-5-2-3-7-19(16)20/h2-8,17-18,27H,9-15,22H2,1H3/t17-,18+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of post-traslational processing of Ras protein in RAT1 cell line


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50051825
PNG
(CHEMBL27141 | [(S)-4-((R)-2-Amino-3-mercapto-propy...)
Show SMILES N[C@@H](CS)CN1CCN(C[C@@H]1CCOC1CC1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H31N3O2S/c24-18(16-29)14-25-11-12-26(15-19(25)10-13-28-20-8-9-20)23(27)22-7-3-5-17-4-1-2-6-21(17)22/h1-7,18-20,29H,8-16,24H2/t18-,19+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of post-traslational processing of Ras protein in RAT1 cell line


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50051827
PNG
(CHEMBL283697 | [4-((R)-2-Amino-3-mercapto-propyl)-...)
Show SMILES Cc1cccc(C(=O)N2CCN(C[C@@H](N)CS)CC2)c1C
Show InChI InChI=1S/C16H25N3OS/c1-12-4-3-5-15(13(12)2)16(20)19-8-6-18(7-9-19)10-14(17)11-21/h3-5,14,21H,6-11,17H2,1-2H3/t14-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50051823
PNG
(CHEMBL275378 | [(S)-4-((R)-2-Amino-3-mercapto-prop...)
Show SMILES COCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H29N3O2S/c1-26-12-9-18-14-24(11-10-23(18)13-17(22)15-27)21(25)20-8-4-6-16-5-2-3-7-19(16)20/h2-8,17-18,27H,9-15,22H2,1H3/t17-,18+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%