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Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'pompliano' and Initial = 'dl'   
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
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50059860
PNG
(((2E,6E)-1-Hydroxy-3,7,11-trimethyl-dodeca-2,6,10-...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6](=O)P([#8])([#8])=O
Show InChI InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,14H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)/b13-9+
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4.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Assay using farnesyl-ras-CVLS as the protein acceptor substrate.


Biochemistry 31: 3800-7 (1992)


Article DOI: 10.1021/bi00130a010
BindingDB Entry DOI: 10.7270/Q2MP51XH
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50059860
PNG
(((2E,6E)-1-Hydroxy-3,7,11-trimethyl-dodeca-2,6,10-...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6](=O)P([#8])([#8])=O
Show InChI InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,14H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)/b13-9+
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5.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
FPTase activity was assayed in the biosynthetically forward direction at 30C.


Biochemistry 31: 3800-7 (1992)


Article DOI: 10.1021/bi00130a010
BindingDB Entry DOI: 10.7270/Q2MP51XH
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50059865
PNG
(4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatrienylhydr...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]=[#6]P([#8])(=O)[#6]P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C17H32O5P2/c1-15(2)8-5-9-16(3)10-6-11-17(4)12-7-13-23(18,19)14-24(20,21)22/h7-8,10,13,17H,5-6,9,11-12,14H2,1-4H3,(H,18,19)(H2,20,21,22)/b13-7?,16-10+
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830n/an/an/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
FPTase activity was assayed in the biosynthetically forward direction at 30C.


Biochemistry 31: 3800-7 (1992)


Article DOI: 10.1021/bi00130a010
BindingDB Entry DOI: 10.7270/Q2MP51XH
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50059865
PNG
(4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatrienylhydr...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]=[#6]P([#8])(=O)[#6]P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C17H32O5P2/c1-15(2)8-5-9-16(3)10-6-11-17(4)12-7-13-23(18,19)14-24(20,21)22/h7-8,10,13,17H,5-6,9,11-12,14H2,1-4H3,(H,18,19)(H2,20,21,22)/b13-7?,16-10+
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1.30E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Assay using farnesyl-ras-CVLS as the protein acceptor substrate.


Biochemistry 31: 3800-7 (1992)


Article DOI: 10.1021/bi00130a010
BindingDB Entry DOI: 10.7270/Q2MP51XH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50072639
PNG
((S)-2-(2-{[(S)-2-((R)-2-Amino-3-mercapto-propylami...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC[C@@H](N)CS
Show InChI InChI=1S/C27H42N4O3S2/c1-4-19(2)25(29-14-22(28)18-35)16-31(17-26(32)30-24(27(33)34)12-13-36-3)15-21-10-7-9-20-8-5-6-11-23(20)21/h5-11,19,22,24-25,29,35H,4,12-18,28H2,1-3H3,(H,30,32)(H,33,34)/t19?,22-,24+,25-/m1/s1
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n/an/a 0.123n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]- FPP incorporation into recombinant Ha-Ras by farnesyl transferase at 10 pM


Bioorg Med Chem Lett 8: 3311-6 (1999)


BindingDB Entry DOI: 10.7270/Q2G44QSV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50369371
PNG
(CHEMBL1790750)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCO)C(O)=O)Cc1cccc2ccccc12)NC[C@@H](N)CS
Show InChI InChI=1S/C26H40N4O4S/c1-3-18(2)24(28-13-21(27)17-35)15-30(16-25(32)29-23(11-12-31)26(33)34)14-20-9-6-8-19-7-4-5-10-22(19)20/h4-10,18,21,23-24,28,31,35H,3,11-17,27H2,1-2H3,(H,29,32)(H,33,34)/t18-,21-,23+,24-/m1/s1
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n/an/a 0.123n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(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
Dimer of Protein farnesyltransferase subunit beta


(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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50366557
PNG
(CHEMBL1790748)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1ccccc1)NC[C@@H](N)CS
Show InChI InChI=1S/C23H40N4O3S2/c1-4-17(2)21(25-12-19(24)16-31)14-27(13-18-8-6-5-7-9-18)15-22(28)26-20(23(29)30)10-11-32-3/h5-9,17,19-21,25,31H,4,10-16,24H2,1-3H3,(H,26,28)(H,29,30)/t17-,19-,20+,21-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50366557
PNG
(CHEMBL1790748)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1ccccc1)NC[C@@H](N)CS
Show InChI InChI=1S/C23H40N4O3S2/c1-4-17(2)21(25-12-19(24)16-31)14-27(13-18-8-6-5-7-9-18)15-22(28)26-20(23(29)30)10-11-32-3/h5-9,17,19-21,25,31H,4,10-16,24H2,1-3H3,(H,26,28)(H,29,30)/t17-,19-,20+,21-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]- FPP incorporation into recombinant Ha-Ras by farnesyl transferase at 10 pM


Bioorg Med Chem Lett 8: 3311-6 (1999)


BindingDB Entry DOI: 10.7270/Q2G44QSV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50040692
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C20H40N4O4S/c1-7-13(6)17(19(26)23-15(20(27)28)8-11(2)3)24-18(25)16(12(4)5)22-9-14(21)10-29/h11-17,22,29H,7-10,21H2,1-6H3,(H,23,26)(H,24,25)(H,27,28)/t13-,14+,15-,16-,17-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Ras Farnesyl Protein transferase from bovine brain


J Med Chem 37: 725-32 (1994)


BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50040692
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C20H40N4O4S/c1-7-13(6)17(19(26)23-15(20(27)28)8-11(2)3)24-18(25)16(12(4)5)22-9-14(21)10-29/h11-17,22,29H,7-10,21H2,1-6H3,(H,23,26)(H,24,25)(H,27,28)/t13-,14+,15-,16-,17-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine type-1 geranylgeranyl transferase.


J Med Chem 37: 725-32 (1994)


BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50369364
PNG
(CHEMBL1790760)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1ccccc1)NCCCS
Show InChI InChI=1S/C23H39N3O3S2/c1-4-18(2)21(24-12-8-13-30)16-26(15-19-9-6-5-7-10-19)17-22(27)25-20(23(28)29)11-14-31-3/h5-7,9-10,18,20-21,24,30H,4,8,11-17H2,1-3H3,(H,25,27)(H,28,29)/t18-,20+,21-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50040690
PNG
((S)-2-{(S)-2-[(S)-2-(2-Amino-3-mercapto-propylamin...)
Show SMILES CCC(C)[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O)NCC(N)CS
Show InChI InChI=1S/C23H40N4O3S2/c1-4-16(2)21(25-13-18(24)15-31)14-26-20(12-17-8-6-5-7-9-17)22(28)27-19(23(29)30)10-11-32-3/h5-9,16,18-21,25-26,31H,4,10-15,24H2,1-3H3,(H,27,28)(H,29,30)/t16?,18?,19-,20-,21+/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Ras Farnesyl Protein transferase from bovine brain


J Med Chem 37: 725-32 (1994)


BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50369370
PNG
(CHEMBL1790745)
Show SMILES CC[C@@H](C)[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O)NC[C@@H](N)CS
Show InChI InChI=1S/C23H40N4O3S2/c1-4-16(2)21(25-13-18(24)15-31)14-26-20(12-17-8-6-5-7-9-17)22(28)27-19(23(29)30)10-11-32-3/h5-9,16,18-21,25-26,31H,4,10-15,24H2,1-3H3,(H,27,28)(H,29,30)/t16-,18-,19+,20+,21-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50072626
PNG
((S)-2-[2-({(S)-2-[2-(4-Cyano-benzylsulfanyl)-acety...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)CSCc1ccc(cc1)C#N
Show InChI InChI=1S/C34H42N4O4S2/c1-4-24(2)31(37-33(40)23-44-22-26-14-12-25(18-35)13-15-26)20-38(21-32(39)36-30(34(41)42)16-17-43-3)19-28-10-7-9-27-8-5-6-11-29(27)28/h5-15,24,30-31H,4,16-17,19-23H2,1-3H3,(H,36,39)(H,37,40)(H,41,42)/t24?,30-,31+/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Bioorg Med Chem Lett 8: 3311-6 (1999)


BindingDB Entry DOI: 10.7270/Q2G44QSV
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50031179
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C16H27N3OS/c1-4-12(3)15(18-9-13(17)10-21)16(20)19-14-7-5-6-11(2)8-14/h5-8,12-13,15,18,21H,4,9-10,17H2,1-3H3,(H,19,20)/t12?,13-,15+/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)


BindingDB Entry DOI: 10.7270/Q2XS5TD4
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50072647
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(4-nitro-benzylsulfan...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)CSCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6S2/c1-4-23(2)30(35-32(39)22-45-21-24-12-14-27(15-13-24)37(42)43)19-36(20-31(38)34-29(33(40)41)16-17-44-3)18-26-10-7-9-25-8-5-6-11-28(25)26/h5-15,23,29-30H,4,16-22H2,1-3H3,(H,34,38)(H,35,39)(H,40,41)/t23?,29-,30+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Bioorg Med Chem Lett 8: 3311-6 (1999)


BindingDB Entry DOI: 10.7270/Q2G44QSV
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50031169
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H25Cl2N3OS/c1-3-10(2)15(20-8-12(19)9-23)16(22)21-7-11-5-4-6-13(17)14(11)18/h4-6,10,12,15,20,23H,3,7-9,19H2,1-2H3,(H,21,22)/t10?,12-,15+/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)


BindingDB Entry DOI: 10.7270/Q2XS5TD4
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50031167
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)Nc1cccc(C)c1C
Show InChI InChI=1S/C17H29N3OS/c1-5-11(2)16(19-9-14(18)10-22)17(21)20-15-8-6-7-12(3)13(15)4/h6-8,11,14,16,19,22H,5,9-10,18H2,1-4H3,(H,20,21)/t11?,14-,16+/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)


BindingDB Entry DOI: 10.7270/Q2XS5TD4
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50031170
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H25Cl2N3OS/c1-3-10(2)15(20-8-13(19)9-23)16(22)21-7-11-4-5-12(17)6-14(11)18/h4-6,10,13,15,20,23H,3,7-9,19H2,1-2H3,(H,21,22)/t10?,13-,15+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)


BindingDB Entry DOI: 10.7270/Q2XS5TD4
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50369371
PNG
(CHEMBL1790750)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCO)C(O)=O)Cc1cccc2ccccc12)NC[C@@H](N)CS
Show InChI InChI=1S/C26H40N4O4S/c1-3-18(2)24(28-13-21(27)17-35)15-30(16-25(32)29-23(11-12-31)26(33)34)14-20-9-6-8-19-7-4-5-10-22(19)20/h4-10,18,21,23-24,28,31,35H,3,11-17,27H2,1-2H3,(H,29,32)(H,33,34)/t18-,21-,23+,24-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50072645
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(4-methyl-benzylsulfa...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)CSCc1ccc(C)cc1
Show InChI InChI=1S/C34H45N3O4S2/c1-5-25(3)31(36-33(39)23-43-22-26-15-13-24(2)14-16-26)20-37(21-32(38)35-30(34(40)41)17-18-42-4)19-28-11-8-10-27-9-6-7-12-29(27)28/h6-16,25,30-31H,5,17-23H2,1-4H3,(H,35,38)(H,36,39)(H,40,41)/t25?,30-,31+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Bioorg Med Chem Lett 8: 3311-6 (1999)


BindingDB Entry DOI: 10.7270/Q2G44QSV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50072633
PNG
((S)-2-[2-({(S)-2-[2-(4-Methanesulfonyl-benzylsulfa...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)CSCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C34H45N3O6S3/c1-5-24(2)31(36-33(39)23-45-22-25-13-15-28(16-14-25)46(4,42)43)20-37(21-32(38)35-30(34(40)41)17-18-44-3)19-27-11-8-10-26-9-6-7-12-29(26)27/h6-16,24,30-31H,5,17-23H2,1-4H3,(H,35,38)(H,36,39)(H,40,41)/t24?,30-,31+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Bioorg Med Chem Lett 8: 3311-6 (1999)


BindingDB Entry DOI: 10.7270/Q2G44QSV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50072644
PNG
((S)-2-[2-({(S)-2-[2-(4-Methoxy-benzylsulfanyl)-ace...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)CSCc1ccc(OC)cc1
Show InChI InChI=1S/C34H45N3O5S2/c1-5-24(2)31(36-33(39)23-44-22-25-13-15-28(42-3)16-14-25)20-37(21-32(38)35-30(34(40)41)17-18-43-4)19-27-11-8-10-26-9-6-7-12-29(26)27/h6-16,24,30-31H,5,17-23H2,1-4H3,(H,35,38)(H,36,39)(H,40,41)/t24?,30-,31+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Bioorg Med Chem Lett 8: 3311-6 (1999)


BindingDB Entry DOI: 10.7270/Q2G44QSV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50072628
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(pyridin-4-ylsulfanyl...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)CSc1ccncc1
Show InChI InChI=1S/C31H40N4O4S2/c1-4-22(2)28(34-30(37)21-41-25-12-15-32-16-13-25)19-35(20-29(36)33-27(31(38)39)14-17-40-3)18-24-10-7-9-23-8-5-6-11-26(23)24/h5-13,15-16,22,27-28H,4,14,17-21H2,1-3H3,(H,33,36)(H,34,37)(H,38,39)/t22?,27-,28+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Bioorg Med Chem Lett 8: 3311-6 (1999)


BindingDB Entry DOI: 10.7270/Q2G44QSV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50040689
PNG
((S)-2-{(S)-2-[(S)-2-(2-Amino-3-mercapto-propylamin...)
Show SMILES CC[C@H](C)[C@H](NC[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C23H38N4O4S2/c1-4-15(2)20(25-13-17(24)14-32)22(29)27-19(12-16-8-6-5-7-9-16)21(28)26-18(23(30)31)10-11-33-3/h5-9,15,17-20,25,32H,4,10-14,24H2,1-3H3,(H,26,28)(H,27,29)(H,30,31)/t15-,17+,18-,19-,20-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Ras Farnesyl Protein transferase from bovine brain


J Med Chem 37: 725-32 (1994)


BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50040689
PNG
((S)-2-{(S)-2-[(S)-2-(2-Amino-3-mercapto-propylamin...)
Show SMILES CC[C@H](C)[C@H](NC[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C23H38N4O4S2/c1-4-15(2)20(25-13-17(24)14-32)22(29)27-19(12-16-8-6-5-7-9-16)21(28)26-18(23(30)31)10-11-33-3/h5-9,15,17-20,25,32H,4,10-14,24H2,1-3H3,(H,26,28)(H,27,29)(H,30,31)/t15-,17+,18-,19-,20-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine type-1 geranylgeranyl transferase.


J Med Chem 37: 725-32 (1994)


BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50072623
PNG
((S)-2-[2-({(S)-3-Methyl-2-[4-(4-nitro-phenyl)-buty...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)CCCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C34H44N4O6S/c1-4-24(2)31(36-32(39)14-7-9-25-15-17-28(18-16-25)38(43)44)22-37(23-33(40)35-30(34(41)42)19-20-45-3)21-27-12-8-11-26-10-5-6-13-29(26)27/h5-6,8,10-13,15-18,24,30-31H,4,7,9,14,19-23H2,1-3H3,(H,35,40)(H,36,39)(H,41,42)/t24?,30-,31+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Bioorg Med Chem Lett 8: 3311-6 (1999)


BindingDB Entry DOI: 10.7270/Q2G44QSV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50407296
PNG
(CHEMBL2052018 | L-731735)
Show SMILES CC[C@H](C)[C@@H](CN[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCO)C(O)=O)NC[C@@H](N)CS
Show InChI InChI=1S/C19H40N4O4S/c1-5-12(3)16(21-9-14(20)11-28)10-22-17(13(4)6-2)18(25)23-15(7-8-24)19(26)27/h12-17,21-22,24,28H,5-11,20H2,1-4H3,(H,23,25)(H,26,27)/t12-,13-,14+,15-,16+,17-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50407296
PNG
(CHEMBL2052018 | L-731735)
Show SMILES CC[C@H](C)[C@@H](CN[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCO)C(O)=O)NC[C@@H](N)CS
Show InChI InChI=1S/C19H40N4O4S/c1-5-12(3)16(21-9-14(20)11-28)10-22-17(13(4)6-2)18(25)23-15(7-8-24)19(26)27/h12-17,21-22,24,28H,5-11,20H2,1-4H3,(H,23,25)(H,26,27)/t12-,13-,14+,15-,16+,17-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Ras Farnesyl Protein transferase from bovine brain


J Med Chem 37: 725-32 (1994)


BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50031168
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H28N4O3S2/c1-3-11(2)15(19-9-13(17)10-24)16(21)20-8-12-4-6-14(7-5-12)25(18,22)23/h4-7,11,13,15,19,24H,3,8-10,17H2,1-2H3,(H,20,21)(H2,18,22,23)/t11?,13-,15+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)


BindingDB Entry DOI: 10.7270/Q2XS5TD4
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50369368
PNG
(CHEMBL1790744)
Show SMILES CCC[C@H](N(C)C[C@@H](NC[C@@H](N)CS)[C@H](C)CC)C(=O)N[C@@H](CCO)C(O)=O
Show InChI InChI=1S/C19H40N4O4S/c1-5-7-17(18(25)22-15(8-9-24)19(26)27)23(4)11-16(13(3)6-2)21-10-14(20)12-28/h13-17,21,24,28H,5-12,20H2,1-4H3,(H,22,25)(H,26,27)/t13-,14-,15+,16-,17+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50031169
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H25Cl2N3OS/c1-3-10(2)15(20-8-12(19)9-23)16(22)21-7-11-5-4-6-13(17)14(11)18/h4-6,10,12,15,20,23H,3,7-9,19H2,1-2H3,(H,21,22)/t10?,12-,15+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required to reduce Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras protein by 50%


J Med Chem 38: 3967-71 (1995)


BindingDB Entry DOI: 10.7270/Q2XS5TD4
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50072629
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-nitro-benzylsulfan...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)CSCc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6S2/c1-4-23(2)30(35-32(39)22-45-21-24-9-7-13-27(17-24)37(42)43)19-36(20-31(38)34-29(33(40)41)15-16-44-3)18-26-12-8-11-25-10-5-6-14-28(25)26/h5-14,17,23,29-30H,4,15-16,18-22H2,1-3H3,(H,34,38)(H,35,39)(H,40,41)/t23?,29-,30+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Bioorg Med Chem Lett 8: 3311-6 (1999)


BindingDB Entry DOI: 10.7270/Q2G44QSV
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50369372
PNG
(CHEMBL1790756)
Show SMILES CC[C@@H](C)[C@@H](CN(C)[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(O)=O)NC[C@@H](N)CS
Show InChI InChI=1S/C21H44N4O3S2/c1-7-14(3)18(23-11-16(22)13-29)12-25(5)19(15(4)8-2)20(26)24-17(21(27)28)9-10-30-6/h14-19,23,29H,7-13,22H2,1-6H3,(H,24,26)(H,27,28)/t14-,15+,16-,17+,18-,19+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50369366
PNG
(CHEMBL1790752)
Show SMILES CC[C@@H](C)[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCO)C(O)=O)NC[C@@H](N)CS
Show InChI InChI=1S/C22H38N4O4S/c1-3-15(2)20(24-12-17(23)14-31)13-25-19(11-16-7-5-4-6-8-16)21(28)26-18(9-10-27)22(29)30/h4-8,15,17-20,24-25,27,31H,3,9-14,23H2,1-2H3,(H,26,28)(H,29,30)/t15-,17-,18+,19+,20-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine brain Farnesyltransferase at 1 nM


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50040691
PNG
((S)-2-{(S)-2-[(S)-2-(2-Amino-3-mercapto-propionyla...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C23H36N4O5S2/c1-4-14(2)19(27-20(28)16(24)13-33)22(30)26-18(12-15-8-6-5-7-9-15)21(29)25-17(23(31)32)10-11-34-3/h5-9,14,16-19,33H,4,10-13,24H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)(H,31,32)/t14-,16-,17-,18-,19-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine type-1 geranylgeranyl transferase.


J Med Chem 37: 725-32 (1994)


BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50040691
PNG
((S)-2-{(S)-2-[(S)-2-(2-Amino-3-mercapto-propionyla...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C23H36N4O5S2/c1-4-14(2)19(27-20(28)16(24)13-33)22(30)26-18(12-15-8-6-5-7-9-15)21(29)25-17(23(31)32)10-11-34-3/h5-9,14,16-19,33H,4,10-13,24H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)(H,31,32)/t14-,16-,17-,18-,19-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Ras Farnesyl Protein transferase from bovine brain


J Med Chem 37: 725-32 (1994)


BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50369375
PNG
(CHEMBL1790753)
Show SMILES CCC[C@H](NC[C@@H](NC[C@@H](N)CS)[C@H](C)CC)C(=O)N[C@@H](CCO)C(O)=O
Show InChI InChI=1S/C18H38N4O4S/c1-4-6-14(17(24)22-15(7-8-23)18(25)26)21-10-16(12(3)5-2)20-9-13(19)11-27/h12-16,20-21,23,27H,4-11,19H2,1-3H3,(H,22,24)(H,25,26)/t12-,13-,14+,15+,16-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine brain Farnesyltransferase at 10 pM


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50040684
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C19H38N4O4S2/c1-6-12(4)16(18(25)22-14(19(26)27)7-8-29-5)23-17(24)15(11(2)3)21-9-13(20)10-28/h11-16,21,28H,6-10,20H2,1-5H3,(H,22,25)(H,23,24)(H,26,27)/t12-,13+,14-,15-,16-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine type-1 geranylgeranyl transferase.


J Med Chem 37: 725-32 (1994)


BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50040684
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C19H38N4O4S2/c1-6-12(4)16(18(25)22-14(19(26)27)7-8-29-5)23-17(24)15(11(2)3)21-9-13(20)10-28/h11-16,21,28H,6-10,20H2,1-5H3,(H,22,25)(H,23,24)(H,26,27)/t12-,13+,14-,15-,16-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Ras Farnesyl Protein transferase from bovine brain


J Med Chem 37: 725-32 (1994)


BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50040688
PNG
((S)-2-{(S)-2-[(S)-2-(3-Mercapto-propylamino)-3-met...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NCCCS)C(C)C)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C19H37N3O4S2/c1-6-13(4)16(18(24)21-14(19(25)26)8-11-28-5)22-17(23)15(12(2)3)20-9-7-10-27/h12-16,20,27H,6-11H2,1-5H3,(H,21,24)(H,22,23)(H,25,26)/t13-,14-,15-,16-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine type-1 geranylgeranyl transferase.


J Med Chem 37: 725-32 (1994)


BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50040688
PNG
((S)-2-{(S)-2-[(S)-2-(3-Mercapto-propylamino)-3-met...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NCCCS)C(C)C)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C19H37N3O4S2/c1-6-13(4)16(18(24)21-14(19(25)26)8-11-28-5)22-17(23)15(12(2)3)20-9-7-10-27/h12-16,20,27H,6-11H2,1-5H3,(H,21,24)(H,22,23)(H,25,26)/t13-,14-,15-,16-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Ras Farnesyl Protein transferase from bovine brain


J Med Chem 37: 725-32 (1994)


BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50072635
PNG
((S)-2-[2-({(S)-2-[2-(Biphenyl-4-ylmethylsulfanyl)-...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)CSCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C39H47N3O4S2/c1-4-28(2)36(41-38(44)27-48-26-29-17-19-31(20-18-29)30-11-6-5-7-12-30)24-42(25-37(43)40-35(39(45)46)21-22-47-3)23-33-15-10-14-32-13-8-9-16-34(32)33/h5-20,28,35-36H,4,21-27H2,1-3H3,(H,40,43)(H,41,44)(H,45,46)/t28?,35-,36+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Bioorg Med Chem Lett 8: 3311-6 (1999)


BindingDB Entry DOI: 10.7270/Q2G44QSV
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50031178
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1ccc(C)cc1C
Show InChI InChI=1S/C18H31N3OS/c1-5-13(3)17(20-10-16(19)11-23)18(22)21-9-15-7-6-12(2)8-14(15)4/h6-8,13,16-17,20,23H,5,9-11,19H2,1-4H3,(H,21,22)/t13?,16-,17+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)


BindingDB Entry DOI: 10.7270/Q2XS5TD4
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50369367
PNG
(CHEMBL1790757)
Show SMILES CC[C@@H](C)[C@@H](CN[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(O)=O)NC[C@@H](N)CS
Show InChI InChI=1S/C20H42N4O3S2/c1-6-13(3)17(22-10-15(21)12-28)11-23-18(14(4)7-2)19(25)24-16(20(26)27)8-9-29-5/h13-18,22-23,28H,6-12,21H2,1-5H3,(H,24,25)(H,26,27)/t13-,14+,15-,16+,17-,18+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
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