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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50029929   
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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50083595
PNG
(3-[3-((R)-2-Amino-3-mercapto-propylamino)-phenoxy]...)
Show SMILES N[C@@H](CS)CNc1cccc(Oc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C16H18N2O3S/c17-12(10-22)9-18-13-4-2-6-15(8-13)21-14-5-1-3-11(7-14)16(19)20/h1-8,12,18,22H,9-10,17H2,(H,19,20)/t12-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289417
PNG
((R)-2-Amino-3-(3-m-tolyloxy-phenylamino)-propane-1...)
Show SMILES Cc1cccc(Oc2cccc(NC[C@@H](N)CS)c2)c1
Show InChI InChI=1S/C16H20N2OS/c1-12-4-2-6-15(8-12)19-16-7-3-5-14(9-16)18-10-13(17)11-20/h2-9,13,18,20H,10-11,17H2,1H3/t13-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289422
PNG
(CHEMBL26314 | {3-[4-((R)-2-Amino-3-mercapto-propyl...)
Show SMILES N[C@@H](CS)CNc1ccc(Oc2cccc(CO)c2)cc1
Show InChI InChI=1S/C16H20N2O2S/c17-13(11-21)9-18-14-4-6-15(7-5-14)20-16-3-1-2-12(8-16)10-19/h1-8,13,18-19,21H,9-11,17H2/t13-/m1/s1
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n/an/a 335n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289429
PNG
(3-[4-((R)-2-Amino-3-mercapto-propylamino)-phenoxy]...)
Show SMILES N[C@@H](CS)CNc1ccc(Oc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C16H18N2O3S/c17-12(10-22)9-18-13-4-6-14(7-5-13)21-15-3-1-2-11(8-15)16(19)20/h1-8,12,18,22H,9-10,17H2,(H,19,20)/t12-/m1/s1
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n/an/a 403n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289427
PNG
((R)-2-Amino-3-(4-phenoxy-phenylamino)-propane-1-th...)
Show SMILES N[C@@H](CS)CNc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H18N2OS/c16-12(11-19)10-17-13-6-8-15(9-7-13)18-14-4-2-1-3-5-14/h1-9,12,17,19H,10-11,16H2/t12-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289420
PNG
((R)-2-Amino-3-(4-m-tolyloxy-phenylamino)-propane-1...)
Show SMILES Cc1cccc(Oc2ccc(NC[C@@H](N)CS)cc2)c1
Show InChI InChI=1S/C16H20N2OS/c1-12-3-2-4-16(9-12)19-15-7-5-14(6-8-15)18-10-13(17)11-20/h2-9,13,18,20H,10-11,17H2,1H3/t13-/m1/s1
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n/an/a 615n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289425
PNG
(3-[4-((R)-2-Amino-3-mercapto-propylamino)-phenoxy]...)
Show SMILES COC(=O)c1cccc(Oc2ccc(NC[C@@H](N)CS)cc2)c1
Show InChI InChI=1S/C17H20N2O3S/c1-21-17(20)12-3-2-4-16(9-12)22-15-7-5-14(6-8-15)19-10-13(18)11-23/h2-9,13,19,23H,10-11,18H2,1H3/t13-/m1/s1
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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289431
PNG
((R)-2-Amino-3-(3-phenoxy-phenylamino)-propane-1-th...)
Show SMILES N[C@@H](CS)CNc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H18N2OS/c16-12(11-19)10-17-13-5-4-8-15(9-13)18-14-6-2-1-3-7-14/h1-9,12,17,19H,10-11,16H2/t12-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289425
PNG
(3-[4-((R)-2-Amino-3-mercapto-propylamino)-phenoxy]...)
Show SMILES COC(=O)c1cccc(Oc2ccc(NC[C@@H](N)CS)cc2)c1
Show InChI InChI=1S/C17H20N2O3S/c1-21-17(20)12-3-2-4-16(9-12)22-15-7-5-14(6-8-15)19-10-13(18)11-23/h2-9,13,19,23H,10-11,18H2,1H3/t13-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranyl transferase type I, an enzyme that recognizes CaaX sequences containing leucine as the terminal residue.


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289423
PNG
(4-[4-((R)-2-Amino-3-mercapto-propylamino)-phenoxy]...)
Show SMILES N[C@@H](CS)CNc1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H18N2O3S/c17-12(10-22)9-18-13-3-7-15(8-4-13)21-14-5-1-11(2-6-14)16(19)20/h1-8,12,18,22H,9-10,17H2,(H,19,20)/t12-/m1/s1
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n/an/a 3.15E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289428
PNG
(4-[3-((R)-2-Amino-3-mercapto-propylamino)-phenoxy]...)
Show SMILES N[C@@H](CS)CNc1cccc(Oc2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C16H18N2O3S/c17-12(10-22)9-18-13-2-1-3-15(8-13)21-14-6-4-11(5-7-14)16(19)20/h1-8,12,18,22H,9-10,17H2,(H,19,20)/t12-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289427
PNG
((R)-2-Amino-3-(4-phenoxy-phenylamino)-propane-1-th...)
Show SMILES N[C@@H](CS)CNc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H18N2OS/c16-12(11-19)10-17-13-6-8-15(9-7-13)18-14-4-2-1-3-5-14/h1-9,12,17,19H,10-11,16H2/t12-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50083595
PNG
(3-[3-((R)-2-Amino-3-mercapto-propylamino)-phenoxy]...)
Show SMILES N[C@@H](CS)CNc1cccc(Oc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C16H18N2O3S/c17-12(10-22)9-18-13-4-2-6-15(8-13)21-14-5-1-3-11(7-14)16(19)20/h1-8,12,18,22H,9-10,17H2,(H,19,20)/t12-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranyl transferase type I, an enzyme that recognizes CaaX sequences containing leucine as the terminal residue.


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289426
PNG
(3-[3-((R)-2-Amino-3-mercapto-propionylamino)-pheno...)
Show SMILES N[C@@H](CS)C(=O)Nc1cccc(Oc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C16H16N2O4S/c17-14(9-23)15(19)18-11-4-2-6-13(8-11)22-12-5-1-3-10(7-12)16(20)21/h1-8,14,23H,9,17H2,(H,18,19)(H,20,21)/t14-/m0/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289421
PNG
(3-[4-((R)-2-Amino-3-mercapto-propionylamino)-pheno...)
Show SMILES N[C@@H](CS)C(=O)Nc1ccc(Oc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C16H16N2O4S/c17-14(9-23)15(19)18-11-4-6-12(7-5-11)22-13-3-1-2-10(8-13)16(20)21/h1-8,14,23H,9,17H2,(H,18,19)(H,20,21)/t14-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289424
PNG
(4-[4-((R)-2-Amino-3-mercapto-propionylamino)-pheno...)
Show SMILES N[C@@H](CS)C(=O)Nc1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H16N2O4S/c17-14(9-23)15(19)18-11-3-7-13(8-4-11)22-12-5-1-10(2-6-12)16(20)21/h1-8,14,23H,9,17H2,(H,18,19)(H,20,21)/t14-/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranyl transferase type I, an enzyme that recognizes CaaX sequences containing leucine as the terminal residue.


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289416
PNG
(3-[4-((R)-2-Amino-3-mercapto-propionylamino)-pheno...)
Show SMILES COC(=O)c1cccc(Oc2ccc(NC(=O)[C@@H](N)CS)cc2)c1
Show InChI InChI=1S/C17H18N2O4S/c1-22-17(21)11-3-2-4-14(9-11)23-13-7-5-12(6-8-13)19-16(20)15(18)10-24/h2-9,15,24H,10,18H2,1H3,(H,19,20)/t15-/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289419
PNG
(3-[3-((R)-2-Amino-3-mercapto-propionylamino)-pheno...)
Show SMILES COC(=O)c1cccc(Oc2cccc(NC(=O)[C@@H](N)CS)c2)c1
Show InChI InChI=1S/C17H18N2O4S/c1-22-17(21)11-4-2-6-13(8-11)23-14-7-3-5-12(9-14)19-16(20)15(18)10-24/h2-9,15,24H,10,18H2,1H3,(H,19,20)/t15-/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289418
PNG
(4-[3-((R)-2-Amino-3-mercapto-propionylamino)-pheno...)
Show SMILES N[C@@H](CS)C(=O)Nc1cccc(Oc2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C16H16N2O4S/c17-14(9-23)15(19)18-11-2-1-3-13(8-11)22-12-6-4-10(5-7-12)16(20)21/h1-8,14,23H,9,17H2,(H,18,19)(H,20,21)/t14-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289432
PNG
(4-[3-((R)-2-Amino-3-mercapto-propionylamino)-pheno...)
Show SMILES COC(=O)c1ccc(Oc2cccc(NC(=O)[C@@H](N)CS)c2)cc1
Show InChI InChI=1S/C17H18N2O4S/c1-22-17(21)11-5-7-13(8-6-11)23-14-4-2-3-12(9-14)19-16(20)15(18)10-24/h2-9,15,24H,10,18H2,1H3,(H,19,20)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50289430
PNG
(4-[4-((R)-2-Amino-3-mercapto-propionylamino)-pheno...)
Show SMILES COC(=O)c1ccc(Oc2ccc(NC(=O)[C@@H](N)CS)cc2)cc1
Show InChI InChI=1S/C17H18N2O4S/c1-22-17(21)11-2-6-13(7-3-11)23-14-8-4-12(5-9-14)19-16(20)15(18)10-24/h2-9,15,24H,10,18H2,1H3,(H,19,20)/t15-/m0/s1
PDB
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UniProtKB/SwissProt

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UniChem

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Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair