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PubMed code 8145221

Compile data set for download or QSAR
Found 28 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
Geranylgeranyl Transferase (GGTase-I)


(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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(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 7n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(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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n/an/a 20n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50040694
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propyl...)
Show SMILES CC[C@H](C)[C@H](NC[C@@H](N)CS)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCO)C(O)=O
Show InChI InChI=1S/C19H38N4O5S/c1-5-11(3)15(21-9-13(20)10-29)17(25)23-16(12(4)6-2)18(26)22-14(7-8-24)19(27)28/h11-16,21,24,29H,5-10,20H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t11-,12-,13+,14-,15-,16-/m0/s1
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n/an/a 42n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50040683
PNG
((S)-2-{(S)-2-[(S)-2-(3-Mercapto-propylamino)-3-met...)
Show SMILES CC[C@H](C)[C@H](NCCCS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C23H37N3O4S2/c1-4-16(2)20(24-12-8-13-31)22(28)26-19(15-17-9-6-5-7-10-17)21(27)25-18(23(29)30)11-14-32-3/h5-7,9-10,16,18-20,24,31H,4,8,11-15H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)/t16-,18-,19-,20-/m0/s1
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n/an/a 50n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50040685
PNG
((S)-2-{(S)-2-[(S)-2-(2-Amino-3-mercapto-propylamin...)
Show SMILES CCC(C)[C@H](NCC(N)CS)C(=O)N[C@H](CN[C@@H](CCSC)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C23H40N4O3S2/c1-4-16(2)21(26-13-18(24)15-31)22(28)27-19(12-17-8-6-5-7-9-17)14-25-20(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 140n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50040695
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propio...)
Show SMILES CCC(C)[C@@H](CN[C@@H](C(C)CC)C(=O)N[C@@H](CCO)C(O)=O)NC(=O)[C@@H](N)CS
Show InChI InChI=1S/C19H38N4O5S/c1-5-11(3)15(23-17(25)13(20)10-29)9-21-16(12(4)6-2)18(26)22-14(7-8-24)19(27)28/h11-16,21,24,29H,5-10,20H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t11?,12?,13-,14-,15+,16-/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50108076
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propio...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C19H36N4O5S2/c1-6-11(4)15(18(26)21-13(19(27)28)7-8-30-5)23-17(25)14(10(2)3)22-16(24)12(20)9-29/h10-15,29H,6-9,20H2,1-5H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)/t11-,12-,13-,14-,15-/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(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 310n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50040682
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propio...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCO)C(O)=O
Show InChI InChI=1S/C19H36N4O6S/c1-5-10(3)14(17(26)21-13(7-8-24)19(28)29)23-18(27)15(11(4)6-2)22-16(25)12(20)9-30/h10-15,24,30H,5-9,20H2,1-4H3,(H,21,26)(H,22,25)(H,23,27)(H,28,29)/t10-,11-,12-,13-,14-,15-/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50040693
PNG
((S)-2-{(S)-2-[(S)-2-(3-Mercapto-propylamino)-3-met...)
Show SMILES CCC(C)[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O)NCCCS
Show InChI InChI=1S/C23H39N3O3S2/c1-4-17(2)21(24-12-8-13-30)16-25-20(15-18-9-6-5-7-10-18)22(27)26-19(23(28)29)11-14-31-3/h5-7,9-10,17,19-21,24-25,30H,4,8,11-16H2,1-3H3,(H,26,27)(H,28,29)/t17?,19-,20-,21+/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(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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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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50040685
PNG
((S)-2-{(S)-2-[(S)-2-(2-Amino-3-mercapto-propylamin...)
Show SMILES CCC(C)[C@H](NCC(N)CS)C(=O)N[C@H](CN[C@@H](CCSC)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C23H40N4O3S2/c1-4-16(2)21(26-13-18(24)15-31)22(28)27-19(12-17-8-6-5-7-9-17)14-25-20(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 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine type-1 geranylgeranyl transferase


J Med Chem 37: 725-32 (1994)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(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 2.20E+3n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(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 5.75E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine type-1 geranylgeranyl transferase


J Med Chem 37: 725-32 (1994)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50040694
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propyl...)
Show SMILES CC[C@H](C)[C@H](NC[C@@H](N)CS)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCO)C(O)=O
Show InChI InChI=1S/C19H38N4O5S/c1-5-11(3)15(21-9-13(20)10-29)17(25)23-16(12(4)6-2)18(26)22-14(7-8-24)19(27)28/h11-16,21,24,29H,5-10,20H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t11-,12-,13+,14-,15-,16-/m0/s1
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n/an/a 8.00E+3n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50040693
PNG
((S)-2-{(S)-2-[(S)-2-(3-Mercapto-propylamino)-3-met...)
Show SMILES CCC(C)[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O)NCCCS
Show InChI InChI=1S/C23H39N3O3S2/c1-4-17(2)21(24-12-8-13-30)16-25-20(15-18-9-6-5-7-10-18)22(27)26-19(23(28)29)11-14-31-3/h5-7,9-10,17,19-21,24-25,30H,4,8,11-16H2,1-3H3,(H,26,27)(H,28,29)/t17?,19-,20-,21+/m0/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
In vitro inhibition of bovine type-1 geranylgeranyl transferase


J Med Chem 37: 725-32 (1994)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50040683
PNG
((S)-2-{(S)-2-[(S)-2-(3-Mercapto-propylamino)-3-met...)
Show SMILES CC[C@H](C)[C@H](NCCCS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C23H37N3O4S2/c1-4-16(2)20(24-12-8-13-31)22(28)26-19(15-17-9-6-5-7-10-17)21(27)25-18(23(29)30)11-14-32-3/h5-7,9-10,16,18-20,24,31H,4,8,11-15H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)/t16-,18-,19-,20-/m0/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
Inhibitory activity against bovine type-1 geranylgeranyl transferase.


J Med Chem 37: 725-32 (1994)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50040687
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propio...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C20H38N4O5S/c1-7-12(6)16(19(27)22-14(20(28)29)8-10(2)3)24-18(26)15(11(4)5)23-17(25)13(21)9-30/h10-16,30H,7-9,21H2,1-6H3,(H,22,27)(H,23,25)(H,24,26)(H,28,29)/t12-,13-,14-,15-,16-/m0/s1
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n/an/a 1.13E+4n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50040687
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propio...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C20H38N4O5S/c1-7-12(6)16(19(27)22-14(20(28)29)8-10(2)3)24-18(26)15(11(4)5)23-17(25)13(21)9-30/h10-16,30H,7-9,21H2,1-6H3,(H,22,27)(H,23,25)(H,24,26)(H,28,29)/t12-,13-,14-,15-,16-/m0/s1
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n/an/a 1.67E+4n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(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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n/an/a 4.50E+4n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50108076
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propio...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C19H36N4O5S2/c1-6-11(4)15(18(26)21-13(19(27)28)7-8-30-5)23-17(25)14(10(2)3)22-16(24)12(20)9-29/h10-15,29H,6-9,20H2,1-5H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)/t11-,12-,13-,14-,15-/m0/s1
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n/an/a 4.90E+4n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(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 3.00E+5n/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)


Article DOI: 10.1021/jm00032a004
BindingDB Entry DOI: 10.7270/Q2M04623
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%