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PubMed code 11520202

Compile data set for download or QSAR
Found 130 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))
BDBM16179
PNG
(4-{[5-({[(3S)-1-(3-chlorobenzyl)-2-oxopyrrolidin-3...)
Show SMILES Clc1cccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C23H22ClN5O/c24-20-3-1-2-19(10-20)15-28-9-8-22(23(28)30)27-13-21-12-26-16-29(21)14-18-6-4-17(11-25)5-7-18/h1-7,10,12,16,22,27H,8-9,13-15H2/t22-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103360
PNG
((3-{[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]-[3...)
Show SMILES CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C31H37ClN6O3/c1-31(2,3)41-30(40)35-13-5-14-36(28-12-15-37(29(28)39)20-25-6-4-7-26(32)16-25)21-27-18-34-22-38(27)19-24-10-8-23(17-33)9-11-24/h4,6-11,16,18,22,28H,5,12-15,19-21H2,1-3H3,(H,35,40)/t28-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103360
PNG
((3-{[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]-[3...)
Show SMILES CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C31H37ClN6O3/c1-31(2,3)41-30(40)35-13-5-14-36(28-12-15-37(29(28)39)20-25-6-4-7-26(32)16-25)21-27-18-34-22-38(27)19-24-10-8-23(17-33)9-11-24/h4,6-11,16,18,22,28H,5,12-15,19-21H2,1-3H3,(H,35,40)/t28-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103333
PNG
(4-(5-{[1-(2-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccccc1N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-3-1-2-4-21(19)28-10-9-20(22(28)29)26-13-18-12-25-15-27(18)14-17-7-5-16(11-24)6-8-17/h1-8,12,15,20,26H,9-10,13-14H2/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM16179
PNG
(4-{[5-({[(3S)-1-(3-chlorobenzyl)-2-oxopyrrolidin-3...)
Show SMILES Clc1cccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C23H22ClN5O/c24-20-3-1-2-19(10-20)15-28-9-8-22(23(28)30)27-13-21-12-26-16-29(21)14-18-6-4-17(11-25)5-7-18/h1-7,10,12,16,22,27H,8-9,13-15H2/t22-/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
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103322
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCCc3ccccc3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C32H32ClN5O/c33-29-10-4-8-28(18-29)22-37-17-15-31(32(37)39)36(16-5-9-25-6-2-1-3-7-25)23-30-20-35-24-38(30)21-27-13-11-26(19-34)12-14-27/h1-4,6-8,10-14,18,20,24,31H,5,9,15-17,21-23H2/t31-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103318
PNG
(4-(5-{[1-(2-Chloro-benzyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccccc1CN1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C23H22ClN5O/c24-21-4-2-1-3-19(21)15-28-10-9-22(23(28)30)27-13-20-12-26-16-29(20)14-18-7-5-17(11-25)6-8-18/h1-8,12,16,22,27H,9-10,13-15H2/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103334
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCN3CCOCC3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H33ClN6O2/c30-26-3-1-2-25(16-26)20-35-9-8-28(29(35)37)34(11-10-33-12-14-38-15-13-33)21-27-18-32-22-36(27)19-24-6-4-23(17-31)5-7-24/h1-7,16,18,22,28H,8-15,19-21H2/t28-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103325
PNG
(4-(5-{[1-(2-Ethylsulfanyl-pyridine-3-carbonyl)-pyr...)
Show SMILES CCSc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H26N6OS/c1-2-32-23-22(4-3-10-27-23)24(31)29-11-9-20(16-29)28-14-21-13-26-17-30(21)15-19-7-5-18(12-25)6-8-19/h3-8,10,13,17,20,28H,2,9,11,14-16H2,1H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103318
PNG
(4-(5-{[1-(2-Chloro-benzyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccccc1CN1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C23H22ClN5O/c24-21-4-2-1-3-19(21)15-28-10-9-22(23(28)30)27-13-20-12-26-16-29(20)14-18-7-5-17(11-25)6-8-18/h1-8,12,16,22,27H,9-10,13-15H2/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103354
PNG
((S)-4-((5-((1-benzyl-2-oxopyrrolidin-3-ylamino)met...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-20(9-7-18)16-28-17-25-13-21(28)14-26-22-10-11-27(23(22)29)15-19-4-2-1-3-5-19/h1-9,13,17,22,26H,10-11,14-16H2/t22-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103334
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCN3CCOCC3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H33ClN6O2/c30-26-3-1-2-25(16-26)20-35-9-8-28(29(35)37)34(11-10-33-12-14-38-15-13-33)21-27-18-32-22-36(27)19-24-6-4-23(17-31)5-7-24/h1-7,16,18,22,28H,8-15,19-21H2/t28-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103346
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCN3CCNCC3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H34ClN7O/c30-26-3-1-2-25(16-26)20-36-11-8-28(29(36)38)35(15-14-34-12-9-32-10-13-34)21-27-18-33-22-37(27)19-24-6-4-23(17-31)5-7-24/h1-7,16,18,22,28,32H,8-15,19-21H2/t28-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103325
PNG
(4-(5-{[1-(2-Ethylsulfanyl-pyridine-3-carbonyl)-pyr...)
Show SMILES CCSc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H26N6OS/c1-2-32-23-22(4-3-10-27-23)24(31)29-11-9-20(16-29)28-14-21-13-26-17-30(21)15-19-7-5-18(12-25)6-8-19/h3-8,10,13,17,20,28H,2,9,11,14-16H2,1H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103336
PNG
(4-[5-({(3-Amino-propyl)-[1-(3-chloro-benzyl)-2-oxo...)
Show SMILES NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C26H29ClN6O/c27-23-4-1-3-22(13-23)17-32-12-9-25(26(32)34)31(11-2-10-28)18-24-15-30-19-33(24)16-21-7-5-20(14-29)6-8-21/h1,3-8,13,15,19,25H,2,9-12,16-18,28H2/t25-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103323
PNG
(4-(5-{[1-(3-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1cccc(c1)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-18-2-1-3-19(10-18)28-9-8-21(22(28)29)26-13-20-12-25-15-27(20)14-17-6-4-16(11-24)5-7-17/h1-7,10,12,15,21,26H,8-9,13-14H2/t21-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103352
PNG
((S)-4-((5-((2-oxo-1-(quinolin-5-yl)pyrrolidin-3-yl...)
Show SMILES O=C1[C@H](CCN1c1cccc2ncccc12)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H22N6O/c26-13-18-6-8-19(9-7-18)16-30-17-27-14-20(30)15-29-23-10-12-31(25(23)32)24-5-1-4-22-21(24)3-2-11-28-22/h1-9,11,14,17,23,29H,10,12,15-16H2/t23-/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103352
PNG
((S)-4-((5-((2-oxo-1-(quinolin-5-yl)pyrrolidin-3-yl...)
Show SMILES O=C1[C@H](CCN1c1cccc2ncccc12)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H22N6O/c26-13-18-6-8-19(9-7-18)16-30-17-27-14-20(30)15-29-23-10-12-31(25(23)32)24-5-1-4-22-21(24)3-2-11-28-22/h1-9,11,14,17,23,29H,10,12,15-16H2/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103331
PNG
(4-(5-{[1-(Naphthalene-1-carbonyl)-pyrrolidin-3-yla...)
Show SMILES O=C(N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N)c1cccc2ccccc12
Show InChI InChI=1S/C27H25N5O/c28-14-20-8-10-21(11-9-20)17-32-19-29-15-24(32)16-30-23-12-13-31(18-23)27(33)26-7-3-5-22-4-1-2-6-25(22)26/h1-11,15,19,23,30H,12-13,16-18H2/t23-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103322
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCCc3ccccc3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C32H32ClN5O/c33-29-10-4-8-28(18-29)22-37-17-15-31(32(37)39)36(16-5-9-25-6-2-1-3-7-25)23-30-20-35-24-38(30)21-27-13-11-26(19-34)12-14-27/h1-4,6-8,10-14,18,20,24,31H,5,9,15-17,21-23H2/t31-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103333
PNG
(4-(5-{[1-(2-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccccc1N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-3-1-2-4-21(19)28-10-9-20(22(28)29)26-13-18-12-25-15-27(18)14-17-7-5-16(11-24)6-8-17/h1-8,12,15,20,26H,9-10,13-14H2/t20-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103332
PNG
((S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(3-phen...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(CCCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C32H33N5O/c33-20-27-13-15-29(16-14-27)23-37-25-34-21-30(37)24-35(18-7-12-26-8-3-1-4-9-26)31-17-19-36(32(31)38)22-28-10-5-2-6-11-28/h1-6,8-11,13-16,21,25,31H,7,12,17-19,22-24H2/t31-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103350
PNG
((S)-4-((5-(((3-aminopropyl)(1-benzyl-2-oxopyrrolid...)
Show SMILES NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H30N6O/c27-12-4-13-30(25-11-14-31(26(25)33)17-22-5-2-1-3-6-22)19-24-16-29-20-32(24)18-23-9-7-21(15-28)8-10-23/h1-3,5-10,16,20,25H,4,11-14,17-19,27H2/t25-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103356
PNG
((3-{(1-Benzyl-2-oxo-pyrrolidin-3-yl)-[3-(4-cyano-b...)
Show SMILES CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C31H38N6O3/c1-31(2,3)40-30(39)34-15-7-16-35(28-14-17-36(29(28)38)20-25-8-5-4-6-9-25)22-27-19-33-23-37(27)21-26-12-10-24(18-32)11-13-26/h4-6,8-13,19,23,28H,7,14-17,20-22H2,1-3H3,(H,34,39)/t28-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103358
PNG
(4-{5-[(1-Benzyl-2-oxo-pyrrolidin-3-ylamino)-methyl...)
Show SMILES O=C1[C@@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-20(9-7-18)16-28-17-25-13-21(28)14-26-22-10-11-27(23(22)29)15-19-4-2-1-3-5-19/h1-9,13,17,22,26H,10-11,14-16H2/t22-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103321
PNG
(4-(5-{[1-(4-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccc(cc1)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-7-19(8-6-18)28-10-9-21(22(28)29)26-13-20-12-25-15-27(20)14-17-3-1-16(11-24)2-4-17/h1-8,12,15,21,26H,9-10,13-14H2/t21-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103316
PNG
(4-(5-{[1-(4-Chloro-benzyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)cc1
Show InChI InChI=1S/C23H22ClN5O/c24-20-7-5-19(6-8-20)14-28-10-9-22(23(28)30)27-13-21-12-26-16-29(21)15-18-3-1-17(11-25)2-4-18/h1-8,12,16,22,27H,9-10,13-15H2/t22-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103317
PNG
(4-{5-[(2-Oxo-1-phenyl-pyrrolidin-3-ylamino)-methyl...)
Show SMILES O=C1[C@H](CCN1c1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C22H21N5O/c23-12-17-6-8-18(9-7-17)15-26-16-24-13-20(26)14-25-21-10-11-27(22(21)28)19-4-2-1-3-5-19/h1-9,13,16,21,25H,10-11,14-15H2/t21-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103337
PNG
((S)-4-((5-((1-(3-chlorobenzoyl)pyrrolidin-3-ylamin...)
Show SMILES Clc1cccc(c1)C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H22ClN5O/c24-20-3-1-2-19(10-20)23(30)28-9-8-21(15-28)27-13-22-12-26-16-29(22)14-18-6-4-17(11-25)5-7-18/h1-7,10,12,16,21,27H,8-9,13-15H2/t21-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103354
PNG
((S)-4-((5-((1-benzyl-2-oxopyrrolidin-3-ylamino)met...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-20(9-7-18)16-28-17-25-13-21(28)14-26-22-10-11-27(23(22)29)15-19-4-2-1-3-5-19/h1-9,13,17,22,26H,10-11,14-16H2/t22-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103321
PNG
(4-(5-{[1-(4-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccc(cc1)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-7-19(8-6-18)28-10-9-21(22(28)29)26-13-20-12-25-15-27(20)14-17-3-1-16(11-24)2-4-17/h1-8,12,15,21,26H,9-10,13-14H2/t21-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103323
PNG
(4-(5-{[1-(3-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1cccc(c1)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-18-2-1-3-19(10-18)28-9-8-21(22(28)29)26-13-20-12-25-15-27(20)14-17-6-4-16(11-24)5-7-17/h1-7,10,12,15,21,26H,8-9,13-14H2/t21-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103361
PNG
(4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-propyl-ami...)
Show SMILES CCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H29N5O/c1-2-13-29(25-12-14-30(26(25)32)17-22-6-4-3-5-7-22)19-24-16-28-20-31(24)18-23-10-8-21(15-27)9-11-23/h3-11,16,20,25H,2,12-14,17-19H2,1H3/t25-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103357
PNG
(4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-(4-phenyl-...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(CCCCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C33H35N5O/c34-21-28-14-16-30(17-15-28)24-38-26-35-22-31(38)25-36(19-8-7-11-27-9-3-1-4-10-27)32-18-20-37(33(32)39)23-29-12-5-2-6-13-29/h1-6,9-10,12-17,22,26,32H,7-8,11,18-20,23-25H2/t32-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103326
PNG
((S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(butyl)...)
Show SMILES CCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C27H31N5O/c1-2-3-14-30(26-13-15-31(27(26)33)18-23-7-5-4-6-8-23)20-25-17-29-21-32(25)19-24-11-9-22(16-28)10-12-24/h4-12,17,21,26H,2-3,13-15,18-20H2,1H3/t26-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103362
PNG
(4-(5-{[1-(5-Bromo-pyridine-3-carbonyl)-pyrrolidin-...)
Show SMILES Brc1cncc(c1)C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C22H21BrN6O/c23-19-7-18(9-25-10-19)22(30)28-6-5-20(14-28)27-12-21-11-26-15-29(21)13-17-3-1-16(8-24)2-4-17/h1-4,7,9-11,15,20,27H,5-6,12-14H2/t20-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103347
PNG
((S)-4-((5-((2-oxo-1-(pyridin-4-yl)pyrrolidin-3-yla...)
Show SMILES O=C1[C@H](CCN1c1ccncc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C21H20N6O/c22-11-16-1-3-17(4-2-16)14-26-15-24-12-19(26)13-25-20-7-10-27(21(20)28)18-5-8-23-9-6-18/h1-6,8-9,12,15,20,25H,7,10,13-14H2/t20-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103362
PNG
(4-(5-{[1-(5-Bromo-pyridine-3-carbonyl)-pyrrolidin-...)
Show SMILES Brc1cncc(c1)C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C22H21BrN6O/c23-19-7-18(9-25-10-19)22(30)28-6-5-20(14-28)27-12-21-11-26-15-29(21)13-17-3-1-16(8-24)2-4-17/h1-4,7,9-11,15,20,27H,5-6,12-14H2/t20-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103358
PNG
(4-{5-[(1-Benzyl-2-oxo-pyrrolidin-3-ylamino)-methyl...)
Show SMILES O=C1[C@@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-20(9-7-18)16-28-17-25-13-21(28)14-26-22-10-11-27(23(22)29)15-19-4-2-1-3-5-19/h1-9,13,17,22,26H,10-11,14-16H2/t22-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103327
PNG
(4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-phenethyl-...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(CCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C31H31N5O/c32-19-26-11-13-28(14-12-26)22-36-24-33-20-29(36)23-34(17-15-25-7-3-1-4-8-25)30-16-18-35(31(30)37)21-27-9-5-2-6-10-27/h1-14,20,24,30H,15-18,21-23H2/t30-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103335
PNG
((S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(pyridi...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(Cc1cncn1Cc1ccc(cc1)C#N)Cc1cccnc1
Show InChI InChI=1S/C29H28N6O/c30-15-23-8-10-25(11-9-23)19-35-22-32-17-27(35)21-34(20-26-7-4-13-31-16-26)28-12-14-33(29(28)36)18-24-5-2-1-3-6-24/h1-11,13,16-17,22,28H,12,14,18-21H2/t28-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103316
PNG
(4-(5-{[1-(4-Chloro-benzyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)cc1
Show InChI InChI=1S/C23H22ClN5O/c24-20-7-5-19(6-8-20)14-28-10-9-22(23(28)30)27-13-21-12-26-16-29(21)15-18-3-1-17(11-25)2-4-18/h1-8,12,16,22,27H,9-10,13-15H2/t22-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103326
PNG
((S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(butyl)...)
Show SMILES CCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C27H31N5O/c1-2-3-14-30(26-13-15-31(27(26)33)18-23-7-5-4-6-8-23)20-25-17-29-21-32(25)19-24-11-9-22(16-28)10-12-24/h4-12,17,21,26H,2-3,13-15,18-20H2,1H3/t26-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103361
PNG
(4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-propyl-ami...)
Show SMILES CCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H29N5O/c1-2-13-29(25-12-14-30(26(25)32)17-22-6-4-3-5-7-22)19-24-16-28-20-31(24)18-23-10-8-21(15-27)9-11-23/h3-11,16,20,25H,2,12-14,17-19H2,1H3/t25-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103356
PNG
((3-{(1-Benzyl-2-oxo-pyrrolidin-3-yl)-[3-(4-cyano-b...)
Show SMILES CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C31H38N6O3/c1-31(2,3)40-30(39)34-15-7-16-35(28-14-17-36(29(28)38)20-25-8-5-4-6-9-25)22-27-19-33-23-37(27)21-26-12-10-24(18-32)11-13-26/h4-6,8-13,19,23,28H,7,14-17,20-22H2,1-3H3,(H,34,39)/t28-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103349
PNG
(4-(5-{[1-(2-Chloro-benzoyl)-pyrrolidin-3-ylamino]-...)
Show SMILES Clc1ccccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H22ClN5O/c24-22-4-2-1-3-21(22)23(30)28-10-9-19(15-28)27-13-20-12-26-16-29(20)14-18-7-5-17(11-25)6-8-18/h1-8,12,16,19,27H,9-10,13-15H2/t19-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103342
PNG
(4-(5-{[Benzyl-(1-benzyl-2-oxo-pyrrolidin-3-yl)-ami...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(Cc1cncn1Cc1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C30H29N5O/c31-17-24-11-13-27(14-12-24)21-35-23-32-18-28(35)22-34(20-26-9-5-2-6-10-26)29-15-16-33(30(29)36)19-25-7-3-1-4-8-25/h1-14,18,23,29H,15-16,19-22H2/t29-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103337
PNG
((S)-4-((5-((1-(3-chlorobenzoyl)pyrrolidin-3-ylamin...)
Show SMILES Clc1cccc(c1)C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H22ClN5O/c24-20-3-1-2-19(10-20)23(30)28-9-8-21(15-28)27-13-22-12-26-16-29(22)14-18-6-4-17(11-25)5-7-18/h1-7,10,12,16,21,27H,8-9,13-15H2/t21-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103319
PNG
(4-(5-{[1-(4-Chloro-benzoyl)-pyrrolidin-3-ylamino]-...)
Show SMILES Clc1ccc(cc1)C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H22ClN5O/c24-20-7-5-19(6-8-20)23(30)28-10-9-21(15-28)27-13-22-12-26-16-29(22)14-18-3-1-17(11-25)2-4-18/h1-8,12,16,21,27H,9-10,13-15H2/t21-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103332
PNG
((S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(3-phen...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(CCCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C32H33N5O/c33-20-27-13-15-29(16-14-27)23-37-25-34-21-30(37)24-35(18-7-12-26-8-3-1-4-9-26)31-17-19-36(32(31)38)22-28-10-5-2-6-11-28/h1-6,8-11,13-16,21,25,31H,7,12,17-19,22-24H2/t31-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103317
PNG
(4-{5-[(2-Oxo-1-phenyl-pyrrolidin-3-ylamino)-methyl...)
Show SMILES O=C1[C@H](CCN1c1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C22H21N5O/c23-12-17-6-8-18(9-7-17)15-26-16-24-13-20(26)14-25-21-10-11-27(22(21)28)19-4-2-1-3-5-19/h1-9,13,16,21,25H,10-11,14-15H2/t21-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103363
PNG
(4-(5-{[1-(2-Methylsulfanyl-pyridine-3-carbonyl)-py...)
Show SMILES CSc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6OS/c1-31-22-21(3-2-9-26-22)23(30)28-10-8-19(15-28)27-13-20-12-25-16-29(20)14-18-6-4-17(11-24)5-7-18/h2-7,9,12,16,19,27H,8,10,13-15H2,1H3/t19-/m0/s1
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n/an/a 83n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103343
PNG
(4-{5-[(2-Oxo-1-pyridin-3-yl-pyrrolidin-3-ylamino)-...)
Show SMILES O=C1[C@H](CCN1c1cccnc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C21H20N6O/c22-10-16-3-5-17(6-4-16)14-26-15-24-12-19(26)13-25-20-7-9-27(21(20)28)18-2-1-8-23-11-18/h1-6,8,11-12,15,20,25H,7,9,13-14H2/t20-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103319
PNG
(4-(5-{[1-(4-Chloro-benzoyl)-pyrrolidin-3-ylamino]-...)
Show SMILES Clc1ccc(cc1)C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H22ClN5O/c24-20-7-5-19(6-8-20)23(30)28-10-9-21(15-28)27-13-22-12-26-16-29(22)14-18-3-1-17(11-25)2-4-18/h1-8,12,16,21,27H,9-10,13-15H2/t21-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103324
PNG
(4-(5-{[1-(2-Methyl-pyridine-3-carbonyl)-pyrrolidin...)
Show SMILES Cc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6O/c1-17-22(3-2-9-26-17)23(30)28-10-8-20(15-28)27-13-21-12-25-16-29(21)14-19-6-4-18(11-24)5-7-19/h2-7,9,12,16,20,27H,8,10,13-15H2,1H3/t20-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103335
PNG
((S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(pyridi...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(Cc1cncn1Cc1ccc(cc1)C#N)Cc1cccnc1
Show InChI InChI=1S/C29H28N6O/c30-15-23-8-10-25(11-9-23)19-35-22-32-17-27(35)21-34(20-26-7-4-13-31-16-26)28-12-14-33(29(28)36)18-24-5-2-1-3-6-24/h1-11,13,16-17,22,28H,12,14,18-21H2/t28-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103328
PNG
(4-{5-[(1-Benzoyl-pyrrolidin-3-ylamino)-methyl]-imi...)
Show SMILES O=C(N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-19(9-7-18)15-28-17-25-13-22(28)14-26-21-10-11-27(16-21)23(29)20-4-2-1-3-5-20/h1-9,13,17,21,26H,10-11,14-16H2/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103353
PNG
(4-{5-[2-(2-Oxo-1-phenyl-pyrrolidin-3-ylamino)-ethy...)
Show SMILES O=C1[C@@H](CCN1c1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c24-14-18-6-8-19(9-7-18)16-27-17-25-15-21(27)10-12-26-22-11-13-28(23(22)29)20-4-2-1-3-5-20/h1-9,15,17,22,26H,10-13,16H2/t22-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103363
PNG
(4-(5-{[1-(2-Methylsulfanyl-pyridine-3-carbonyl)-py...)
Show SMILES CSc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6OS/c1-31-22-21(3-2-9-26-22)23(30)28-10-8-19(15-28)27-13-20-12-25-16-29(20)14-18-6-4-17(11-24)5-7-18/h2-7,9,12,16,19,27H,8,10,13-15H2,1H3/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103344
PNG
(4-(5-{[1-(2-Methoxy-pyridine-3-carbonyl)-pyrrolidi...)
Show SMILES COc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6O2/c1-31-22-21(3-2-9-26-22)23(30)28-10-8-19(15-28)27-13-20-12-25-16-29(20)14-18-6-4-17(11-24)5-7-18/h2-7,9,12,16,19,27H,8,10,13-15H2,1H3/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103339
PNG
(4-{5-[2-(2-Oxo-1-phenyl-pyrrolidin-3-ylamino)-ethy...)
Show SMILES O=C1[C@H](CCN1c1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c24-14-18-6-8-19(9-7-18)16-27-17-25-15-21(27)10-12-26-22-11-13-28(23(22)29)20-4-2-1-3-5-20/h1-9,15,17,22,26H,10-13,16H2/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103336
PNG
(4-[5-({(3-Amino-propyl)-[1-(3-chloro-benzyl)-2-oxo...)
Show SMILES NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C26H29ClN6O/c27-23-4-1-3-22(13-23)17-32-12-9-25(26(32)34)31(11-2-10-28)18-24-15-30-19-33(24)16-21-7-5-20(14-29)6-8-21/h1,3-8,13,15,19,25H,2,9-12,16-18,28H2/t25-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103347
PNG
((S)-4-((5-((2-oxo-1-(pyridin-4-yl)pyrrolidin-3-yla...)
Show SMILES O=C1[C@H](CCN1c1ccncc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C21H20N6O/c22-11-16-1-3-17(4-2-16)14-26-15-24-12-19(26)13-25-20-7-10-27(21(20)28)18-5-8-23-9-6-18/h1-6,8-9,12,15,20,25H,7,10,13-14H2/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103338
PNG
(4-{5-[(2-Oxo-1-phenyl-pyrrolidin-3-ylamino)-methyl...)
Show SMILES O=C1[C@@H](CCN1c1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C22H21N5O/c23-12-17-6-8-18(9-7-17)15-26-16-24-13-20(26)14-25-21-10-11-27(22(21)28)19-4-2-1-3-5-19/h1-9,13,16,21,25H,10-11,14-15H2/t21-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103330
PNG
(4-{5-[(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-met...)
Show SMILES O=C1[C@H](CCN1CCc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c25-14-20-6-8-21(9-7-20)17-29-18-26-15-22(29)16-27-23-11-13-28(24(23)30)12-10-19-4-2-1-3-5-19/h1-9,15,18,23,27H,10-13,16-17H2/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103340
PNG
(4-{5-[2-(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-e...)
Show SMILES O=C1[C@H](CCN1CCc1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H27N5O/c26-16-21-6-8-22(9-7-21)18-30-19-27-17-23(30)10-13-28-24-12-15-29(25(24)31)14-11-20-4-2-1-3-5-20/h1-9,17,19,24,28H,10-15,18H2/t24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103343
PNG
(4-{5-[(2-Oxo-1-pyridin-3-yl-pyrrolidin-3-ylamino)-...)
Show SMILES O=C1[C@H](CCN1c1cccnc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C21H20N6O/c22-10-16-3-5-17(6-4-16)14-26-15-24-12-19(26)13-25-20-7-9-27(21(20)28)18-2-1-8-23-11-18/h1-6,8,11-12,15,20,25H,7,9,13-14H2/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103348
PNG
(4-{5-[2-(1-Benzyl-2-oxo-pyrrolidin-3-ylamino)-ethy...)
Show SMILES O=C1[C@@H](CCN1Cc1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c25-14-19-6-8-21(9-7-19)17-29-18-26-15-22(29)10-12-27-23-11-13-28(24(23)30)16-20-4-2-1-3-5-20/h1-9,15,18,23,27H,10-13,16-17H2/t23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103351
PNG
(4-{5-[(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-met...)
Show SMILES O=C1[C@@H](CCN1CCc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c25-14-20-6-8-21(9-7-20)17-29-18-26-15-22(29)16-27-23-11-13-28(24(23)30)12-10-19-4-2-1-3-5-19/h1-9,15,18,23,27H,10-13,16-17H2/t23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103329
PNG
(4-{5-[2-(1-Benzyl-2-oxo-pyrrolidin-3-ylamino)-ethy...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c25-14-19-6-8-21(9-7-19)17-29-18-26-15-22(29)10-12-27-23-11-13-28(24(23)30)16-20-4-2-1-3-5-20/h1-9,15,18,23,27H,10-13,16-17H2/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103339
PNG
(4-{5-[2-(2-Oxo-1-phenyl-pyrrolidin-3-ylamino)-ethy...)
Show SMILES O=C1[C@H](CCN1c1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c24-14-18-6-8-19(9-7-18)16-27-17-25-15-21(27)10-12-26-22-11-13-28(23(22)29)20-4-2-1-3-5-20/h1-9,15,17,22,26H,10-13,16H2/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103346
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCN3CCNCC3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H34ClN7O/c30-26-3-1-2-25(16-26)20-36-11-8-28(29(36)38)35(15-14-34-12-9-32-10-13-34)21-27-18-33-22-37(27)19-24-6-4-23(17-31)5-7-24/h1-7,16,18,22,28,32H,8-15,19-21H2/t28-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103357
PNG
(4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-(4-phenyl-...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(CCCCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C33H35N5O/c34-21-28-14-16-30(17-15-28)24-38-26-35-22-31(38)25-36(19-8-7-11-27-9-3-1-4-10-27)32-18-20-37(33(32)39)23-29-12-5-2-6-13-29/h1-6,9-10,12-17,22,26,32H,7-8,11,18-20,23-25H2/t32-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103331
PNG
(4-(5-{[1-(Naphthalene-1-carbonyl)-pyrrolidin-3-yla...)
Show SMILES O=C(N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N)c1cccc2ccccc12
Show InChI InChI=1S/C27H25N5O/c28-14-20-8-10-21(11-9-20)17-32-19-29-15-24(32)16-30-23-12-13-31(18-23)27(33)26-7-3-5-22-4-1-2-6-25(22)26/h1-11,15,19,23,30H,12-13,16-18H2/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103320
PNG
(4-{5-[(2-Oxo-1-pyridin-2-yl-pyrrolidin-3-ylamino)-...)
Show SMILES O=C1[C@H](CCN1c1ccccn1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C21H20N6O/c22-11-16-4-6-17(7-5-16)14-26-15-23-12-18(26)13-25-19-8-10-27(21(19)28)20-3-1-2-9-24-20/h1-7,9,12,15,19,25H,8,10,13-14H2/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103341
PNG
(4-{5-[2-(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-e...)
Show SMILES O=C1[C@@H](CCN1CCc1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H27N5O/c26-16-21-6-8-22(9-7-21)18-30-19-27-17-23(30)10-13-28-24-12-15-29(25(24)31)14-11-20-4-2-1-3-5-20/h1-9,17,19,24,28H,10-15,18H2/t24-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103327
PNG
(4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-phenethyl-...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(CCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C31H31N5O/c32-19-26-11-13-28(14-12-26)22-36-24-33-20-29(36)23-34(17-15-25-7-3-1-4-8-25)30-16-18-35(31(30)37)21-27-9-5-2-6-10-27/h1-14,20,24,30H,15-18,21-23H2/t30-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103324
PNG
(4-(5-{[1-(2-Methyl-pyridine-3-carbonyl)-pyrrolidin...)
Show SMILES Cc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6O/c1-17-22(3-2-9-26-17)23(30)28-10-8-20(15-28)27-13-21-12-25-16-29(21)14-19-6-4-18(11-24)5-7-19/h2-7,9,12,16,20,27H,8,10,13-15H2,1H3/t20-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103331
PNG
(4-(5-{[1-(Naphthalene-1-carbonyl)-pyrrolidin-3-yla...)
Show SMILES O=C(N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N)c1cccc2ccccc12
Show InChI InChI=1S/C27H25N5O/c28-14-20-8-10-21(11-9-20)17-32-19-29-15-24(32)16-30-23-12-13-31(18-23)27(33)26-7-3-5-22-4-1-2-6-25(22)26/h1-11,15,19,23,30H,12-13,16-18H2/t23-/m0/s1
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n/an/a 880n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103355
PNG
(4-(5-{[1-(2-Amino-pyridine-3-carbonyl)-pyrrolidin-...)
Show SMILES Nc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C22H23N7O/c23-10-16-3-5-17(6-4-16)13-29-15-25-11-19(29)12-27-18-7-9-28(14-18)22(30)20-2-1-8-26-21(20)24/h1-6,8,11,15,18,27H,7,9,12-14H2,(H2,24,26)/t18-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103350
PNG
((S)-4-((5-(((3-aminopropyl)(1-benzyl-2-oxopyrrolid...)
Show SMILES NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H30N6O/c27-12-4-13-30(25-11-14-31(26(25)33)17-22-5-2-1-3-6-22)19-24-16-29-20-32(24)18-23-9-7-21(15-28)8-10-23/h1-3,5-10,16,20,25H,4,11-14,17-19,27H2/t25-/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
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103341
PNG
(4-{5-[2-(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-e...)
Show SMILES O=C1[C@@H](CCN1CCc1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H27N5O/c26-16-21-6-8-22(9-7-21)18-30-19-27-17-23(30)10-13-28-24-12-15-29(25(24)31)14-11-20-4-2-1-3-5-20/h1-9,17,19,24,28H,10-15,18H2/t24-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103359
PNG
(4-(5-{[1-(Pyridine-3-carbonyl)-pyrrolidin-3-ylamin...)
Show SMILES O=C(N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N)c1cccnc1
Show InChI InChI=1S/C22H22N6O/c23-10-17-3-5-18(6-4-17)14-28-16-25-12-21(28)13-26-20-7-9-27(15-20)22(29)19-2-1-8-24-11-19/h1-6,8,11-12,16,20,26H,7,9,13-15H2/t20-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103360
PNG
((3-{[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]-[3...)
Show SMILES CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C31H37ClN6O3/c1-31(2,3)41-30(40)35-13-5-14-36(28-12-15-37(29(28)39)20-25-6-4-7-26(32)16-25)21-27-18-34-22-38(27)19-24-10-8-23(17-33)9-11-24/h4,6-11,16,18,22,28H,5,12-15,19-21H2,1-3H3,(H,35,40)/t28-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103340
PNG
(4-{5-[2-(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-e...)
Show SMILES O=C1[C@H](CCN1CCc1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H27N5O/c26-16-21-6-8-22(9-7-21)18-30-19-27-17-23(30)10-13-28-24-12-15-29(25(24)31)14-11-20-4-2-1-3-5-20/h1-9,17,19,24,28H,10-15,18H2/t24-/m0/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
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103364
PNG
(4-(5-{[1-(2-Mercapto-pyridine-3-carbonyl)-pyrrolid...)
Show SMILES O=C(N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N)c1ccc[nH]c1=S
Show InChI InChI=1S/C22H22N6OS/c23-10-16-3-5-17(6-4-16)13-28-15-24-11-19(28)12-26-18-7-9-27(14-18)22(29)20-2-1-8-25-21(20)30/h1-6,8,11,15,18,26H,7,9,12-14H2,(H,25,30)/t18-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM16179
PNG
(4-{[5-({[(3S)-1-(3-chlorobenzyl)-2-oxopyrrolidin-3...)
Show SMILES Clc1cccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C23H22ClN5O/c24-20-3-1-2-19(10-20)15-28-9-8-22(23(28)30)27-13-21-12-26-16-29(21)14-18-6-4-17(11-25)5-7-18/h1-7,10,12,16,22,27H,8-9,13-15H2/t22-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103356
PNG
((3-{(1-Benzyl-2-oxo-pyrrolidin-3-yl)-[3-(4-cyano-b...)
Show SMILES CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C31H38N6O3/c1-31(2,3)40-30(39)34-15-7-16-35(28-14-17-36(29(28)38)20-25-8-5-4-6-9-25)22-27-19-33-23-37(27)21-26-12-10-24(18-32)11-13-26/h4-6,8-13,19,23,28H,7,14-17,20-22H2,1-3H3,(H,34,39)/t28-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103357
PNG
(4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-(4-phenyl-...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(CCCCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C33H35N5O/c34-21-28-14-16-30(17-15-28)24-38-26-35-22-31(38)25-36(19-8-7-11-27-9-3-1-4-10-27)32-18-20-37(33(32)39)23-29-12-5-2-6-13-29/h1-6,9-10,12-17,22,26,32H,7-8,11,18-20,23-25H2/t32-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103323
PNG
(4-(5-{[1-(3-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1cccc(c1)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-18-2-1-3-19(10-18)28-9-8-21(22(28)29)26-13-20-12-25-15-27(20)14-17-6-4-16(11-24)5-7-17/h1-7,10,12,15,21,26H,8-9,13-14H2/t21-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103322
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCCc3ccccc3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C32H32ClN5O/c33-29-10-4-8-28(18-29)22-37-17-15-31(32(37)39)36(16-5-9-25-6-2-1-3-7-25)23-30-20-35-24-38(30)21-27-13-11-26(19-34)12-14-27/h1-4,6-8,10-14,18,20,24,31H,5,9,15-17,21-23H2/t31-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50103345
PNG
(4-(5-{[1-(2-Hydroxy-pyridine-3-carbonyl)-pyrrolidi...)
Show SMILES O=C(N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N)c1ccc[nH]c1=O
Show InChI InChI=1S/C22H22N6O2/c23-10-16-3-5-17(6-4-16)13-28-15-24-11-19(28)12-26-18-7-9-27(14-18)22(30)20-2-1-8-25-21(20)29/h1-6,8,11,15,18,26H,7,9,12-14H2,(H,25,29)/t18-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103329
PNG
(4-{5-[2-(1-Benzyl-2-oxo-pyrrolidin-3-ylamino)-ethy...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c25-14-19-6-8-21(9-7-19)17-29-18-26-15-22(29)10-12-27-23-11-13-28(24(23)30)16-20-4-2-1-3-5-20/h1-9,15,18,23,27H,10-13,16-17H2/t23-/m0/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103321
PNG
(4-(5-{[1-(4-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccc(cc1)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-7-19(8-6-18)28-10-9-21(22(28)29)26-13-20-12-25-15-27(20)14-17-3-1-16(11-24)2-4-17/h1-8,12,15,21,26H,9-10,13-14H2/t21-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103318
PNG
(4-(5-{[1-(2-Chloro-benzyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccccc1CN1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C23H22ClN5O/c24-21-4-2-1-3-19(21)15-28-10-9-22(23(28)30)27-13-20-12-26-16-29(20)14-18-7-5-17(11-25)6-8-18/h1-8,12,16,22,27H,9-10,13-15H2/t22-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103348
PNG
(4-{5-[2-(1-Benzyl-2-oxo-pyrrolidin-3-ylamino)-ethy...)
Show SMILES O=C1[C@@H](CCN1Cc1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c25-14-19-6-8-21(9-7-19)17-29-18-26-15-22(29)10-12-27-23-11-13-28(24(23)30)16-20-4-2-1-3-5-20/h1-9,15,18,23,27H,10-13,16-17H2/t23-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103337
PNG
((S)-4-((5-((1-(3-chlorobenzoyl)pyrrolidin-3-ylamin...)
Show SMILES Clc1cccc(c1)C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H22ClN5O/c24-20-3-1-2-19(10-20)23(30)28-9-8-21(15-28)27-13-22-12-26-16-29(22)14-18-6-4-17(11-25)5-7-18/h1-7,10,12,16,21,27H,8-9,13-15H2/t21-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103332
PNG
((S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(3-phen...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(CCCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C32H33N5O/c33-20-27-13-15-29(16-14-27)23-37-25-34-21-30(37)24-35(18-7-12-26-8-3-1-4-9-26)31-17-19-36(32(31)38)22-28-10-5-2-6-11-28/h1-6,8-11,13-16,21,25,31H,7,12,17-19,22-24H2/t31-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103334
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCN3CCOCC3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H33ClN6O2/c30-26-3-1-2-25(16-26)20-35-9-8-28(29(35)37)34(11-10-33-12-14-38-15-13-33)21-27-18-32-22-36(27)19-24-6-4-23(17-31)5-7-24/h1-7,16,18,22,28H,8-15,19-21H2/t28-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103339
PNG
(4-{5-[2-(2-Oxo-1-phenyl-pyrrolidin-3-ylamino)-ethy...)
Show SMILES O=C1[C@H](CCN1c1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c24-14-18-6-8-19(9-7-18)16-27-17-25-15-21(27)10-12-26-22-11-13-28(23(22)29)20-4-2-1-3-5-20/h1-9,15,17,22,26H,10-13,16H2/t22-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103316
PNG
(4-(5-{[1-(4-Chloro-benzyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)cc1
Show InChI InChI=1S/C23H22ClN5O/c24-20-7-5-19(6-8-20)14-28-10-9-22(23(28)30)27-13-21-12-26-16-29(21)15-18-3-1-17(11-25)2-4-18/h1-8,12,16,22,27H,9-10,13-15H2/t22-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103327
PNG
(4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-phenethyl-...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(CCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C31H31N5O/c32-19-26-11-13-28(14-12-26)22-36-24-33-20-29(36)23-34(17-15-25-7-3-1-4-8-25)30-16-18-35(31(30)37)21-27-9-5-2-6-10-27/h1-14,20,24,30H,15-18,21-23H2/t30-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103353
PNG
(4-{5-[2-(2-Oxo-1-phenyl-pyrrolidin-3-ylamino)-ethy...)
Show SMILES O=C1[C@@H](CCN1c1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c24-14-18-6-8-19(9-7-18)16-27-17-25-15-21(27)10-12-26-22-11-13-28(23(22)29)20-4-2-1-3-5-20/h1-9,15,17,22,26H,10-13,16H2/t22-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103349
PNG
(4-(5-{[1-(2-Chloro-benzoyl)-pyrrolidin-3-ylamino]-...)
Show SMILES Clc1ccccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H22ClN5O/c24-22-4-2-1-3-21(22)23(30)28-10-9-19(15-28)27-13-20-12-26-16-29(20)14-18-7-5-17(11-25)6-8-18/h1-8,12,16,19,27H,9-10,13-15H2/t19-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103319
PNG
(4-(5-{[1-(4-Chloro-benzoyl)-pyrrolidin-3-ylamino]-...)
Show SMILES Clc1ccc(cc1)C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H22ClN5O/c24-20-7-5-19(6-8-20)23(30)28-10-9-21(15-28)27-13-22-12-26-16-29(22)14-18-3-1-17(11-25)2-4-18/h1-8,12,16,21,27H,9-10,13-15H2/t21-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103342
PNG
(4-(5-{[Benzyl-(1-benzyl-2-oxo-pyrrolidin-3-yl)-ami...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(Cc1cncn1Cc1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C30H29N5O/c31-17-24-11-13-27(14-12-24)21-35-23-32-18-28(35)22-34(20-26-9-5-2-6-10-26)29-15-16-33(30(29)36)19-25-7-3-1-4-8-25/h1-14,18,23,29H,15-16,19-22H2/t29-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103347
PNG
((S)-4-((5-((2-oxo-1-(pyridin-4-yl)pyrrolidin-3-yla...)
Show SMILES O=C1[C@H](CCN1c1ccncc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C21H20N6O/c22-11-16-1-3-17(4-2-16)14-26-15-24-12-19(26)13-25-20-7-10-27(21(20)28)18-5-8-23-9-6-18/h1-6,8-9,12,15,20,25H,7,10,13-14H2/t20-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103343
PNG
(4-{5-[(2-Oxo-1-pyridin-3-yl-pyrrolidin-3-ylamino)-...)
Show SMILES O=C1[C@H](CCN1c1cccnc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C21H20N6O/c22-10-16-3-5-17(6-4-16)14-26-15-24-12-19(26)13-25-20-7-9-27(21(20)28)18-2-1-8-23-11-18/h1-6,8,11-12,15,20,25H,7,9,13-14H2/t20-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103352
PNG
((S)-4-((5-((2-oxo-1-(quinolin-5-yl)pyrrolidin-3-yl...)
Show SMILES O=C1[C@H](CCN1c1cccc2ncccc12)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H22N6O/c26-13-18-6-8-19(9-7-18)16-30-17-27-14-20(30)15-29-23-10-12-31(25(23)32)24-5-1-4-22-21(24)3-2-11-28-22/h1-9,11,14,17,23,29H,10,12,15-16H2/t23-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103328
PNG
(4-{5-[(1-Benzoyl-pyrrolidin-3-ylamino)-methyl]-imi...)
Show SMILES O=C(N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-19(9-7-18)15-28-17-25-13-22(28)14-26-21-10-11-27(16-21)23(29)20-4-2-1-3-5-20/h1-9,13,17,21,26H,10-11,14-16H2/t21-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103363
PNG
(4-(5-{[1-(2-Methylsulfanyl-pyridine-3-carbonyl)-py...)
Show SMILES CSc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6OS/c1-31-22-21(3-2-9-26-22)23(30)28-10-8-19(15-28)27-13-20-12-25-16-29(20)14-18-6-4-17(11-24)5-7-18/h2-7,9,12,16,19,27H,8,10,13-15H2,1H3/t19-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103351
PNG
(4-{5-[(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-met...)
Show SMILES O=C1[C@@H](CCN1CCc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c25-14-20-6-8-21(9-7-20)17-29-18-26-15-22(29)16-27-23-11-13-28(24(23)30)12-10-19-4-2-1-3-5-19/h1-9,15,18,23,27H,10-13,16-17H2/t23-/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103320
PNG
(4-{5-[(2-Oxo-1-pyridin-2-yl-pyrrolidin-3-ylamino)-...)
Show SMILES O=C1[C@H](CCN1c1ccccn1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C21H20N6O/c22-11-16-4-6-17(7-5-16)14-26-15-23-12-18(26)13-25-19-8-10-27(21(19)28)20-3-1-2-9-24-20/h1-7,9,12,15,19,25H,8,10,13-14H2/t19-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103354
PNG
((S)-4-((5-((1-benzyl-2-oxopyrrolidin-3-ylamino)met...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-20(9-7-18)16-28-17-25-13-21(28)14-26-22-10-11-27(23(22)29)15-19-4-2-1-3-5-19/h1-9,13,17,22,26H,10-11,14-16H2/t22-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103362
PNG
(4-(5-{[1-(5-Bromo-pyridine-3-carbonyl)-pyrrolidin-...)
Show SMILES Brc1cncc(c1)C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C22H21BrN6O/c23-19-7-18(9-25-10-19)22(30)28-6-5-20(14-28)27-12-21-11-26-15-29(21)13-17-3-1-16(8-24)2-4-17/h1-4,7,9-11,15,20,27H,5-6,12-14H2/t20-/m0/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103338
PNG
(4-{5-[(2-Oxo-1-phenyl-pyrrolidin-3-ylamino)-methyl...)
Show SMILES O=C1[C@@H](CCN1c1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C22H21N5O/c23-12-17-6-8-18(9-7-17)15-26-16-24-13-20(26)14-25-21-10-11-27(22(21)28)19-4-2-1-3-5-19/h1-9,13,16,21,25H,10-11,14-15H2/t21-/m1/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103333
PNG
(4-(5-{[1-(2-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccccc1N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-3-1-2-4-21(19)28-10-9-20(22(28)29)26-13-18-12-25-15-27(18)14-17-7-5-16(11-24)6-8-17/h1-8,12,15,20,26H,9-10,13-14H2/t20-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103358
PNG
(4-{5-[(1-Benzyl-2-oxo-pyrrolidin-3-ylamino)-methyl...)
Show SMILES O=C1[C@@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-20(9-7-18)16-28-17-25-13-21(28)14-26-22-10-11-27(23(22)29)15-19-4-2-1-3-5-19/h1-9,13,17,22,26H,10-11,14-16H2/t22-/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103317
PNG
(4-{5-[(2-Oxo-1-phenyl-pyrrolidin-3-ylamino)-methyl...)
Show SMILES O=C1[C@H](CCN1c1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C22H21N5O/c23-12-17-6-8-18(9-7-17)15-26-16-24-13-20(26)14-25-21-10-11-27(22(21)28)19-4-2-1-3-5-19/h1-9,13,16,21,25H,10-11,14-15H2/t21-/m0/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103330
PNG
(4-{5-[(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-met...)
Show SMILES O=C1[C@H](CCN1CCc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c25-14-20-6-8-21(9-7-20)17-29-18-26-15-22(29)16-27-23-11-13-28(24(23)30)12-10-19-4-2-1-3-5-19/h1-9,15,18,23,27H,10-13,16-17H2/t23-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103364
PNG
(4-(5-{[1-(2-Mercapto-pyridine-3-carbonyl)-pyrrolid...)
Show SMILES O=C(N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N)c1ccc[nH]c1=S
Show InChI InChI=1S/C22H22N6OS/c23-10-16-3-5-17(6-4-16)13-28-15-24-11-19(28)12-26-18-7-9-27(14-18)22(29)20-2-1-8-25-21(20)30/h1-6,8,11,15,18,26H,7,9,12-14H2,(H,25,30)/t18-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103346
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCN3CCNCC3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H34ClN7O/c30-26-3-1-2-25(16-26)20-36-11-8-28(29(36)38)35(15-14-34-12-9-32-10-13-34)21-27-18-33-22-37(27)19-24-6-4-23(17-31)5-7-24/h1-7,16,18,22,28,32H,8-15,19-21H2/t28-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103355
PNG
(4-(5-{[1-(2-Amino-pyridine-3-carbonyl)-pyrrolidin-...)
Show SMILES Nc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C22H23N7O/c23-10-16-3-5-17(6-4-16)13-29-15-25-11-19(29)12-27-18-7-9-28(14-18)22(30)20-2-1-8-26-21(20)24/h1-6,8,11,15,18,27H,7,9,12-14H2,(H2,24,26)/t18-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103359
PNG
(4-(5-{[1-(Pyridine-3-carbonyl)-pyrrolidin-3-ylamin...)
Show SMILES O=C(N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N)c1cccnc1
Show InChI InChI=1S/C22H22N6O/c23-10-17-3-5-18(6-4-17)14-28-16-25-12-21(28)13-26-20-7-9-27(15-20)22(29)19-2-1-8-24-11-19/h1-6,8,11-12,16,20,26H,7,9,13-15H2/t20-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103344
PNG
(4-(5-{[1-(2-Methoxy-pyridine-3-carbonyl)-pyrrolidi...)
Show SMILES COc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6O2/c1-31-22-21(3-2-9-26-22)23(30)28-10-8-19(15-28)27-13-20-12-25-16-29(20)14-18-6-4-17(11-24)5-7-18/h2-7,9,12,16,19,27H,8,10,13-15H2,1H3/t19-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103335
PNG
((S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(pyridi...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(Cc1cncn1Cc1ccc(cc1)C#N)Cc1cccnc1
Show InChI InChI=1S/C29H28N6O/c30-15-23-8-10-25(11-9-23)19-35-22-32-17-27(35)21-34(20-26-7-4-13-31-16-26)28-12-14-33(29(28)36)18-24-5-2-1-3-6-24/h1-11,13,16-17,22,28H,12,14,18-21H2/t28-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103350
PNG
((S)-4-((5-(((3-aminopropyl)(1-benzyl-2-oxopyrrolid...)
Show SMILES NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H30N6O/c27-12-4-13-30(25-11-14-31(26(25)33)17-22-5-2-1-3-6-22)19-24-16-29-20-32(24)18-23-9-7-21(15-28)8-10-23/h1-3,5-10,16,20,25H,4,11-14,17-19,27H2/t25-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103336
PNG
(4-[5-({(3-Amino-propyl)-[1-(3-chloro-benzyl)-2-oxo...)
Show SMILES NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C26H29ClN6O/c27-23-4-1-3-22(13-23)17-32-12-9-25(26(32)34)31(11-2-10-28)18-24-15-30-19-33(24)16-21-7-5-20(14-29)6-8-21/h1,3-8,13,15,19,25H,2,9-12,16-18,28H2/t25-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103324
PNG
(4-(5-{[1-(2-Methyl-pyridine-3-carbonyl)-pyrrolidin...)
Show SMILES Cc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6O/c1-17-22(3-2-9-26-17)23(30)28-10-8-20(15-28)27-13-21-12-25-16-29(21)14-19-6-4-18(11-24)5-7-19/h2-7,9,12,16,20,27H,8,10,13-15H2,1H3/t20-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50103345
PNG
(4-(5-{[1-(2-Hydroxy-pyridine-3-carbonyl)-pyrrolidi...)
Show SMILES O=C(N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N)c1ccc[nH]c1=O
Show InChI InChI=1S/C22H22N6O2/c23-10-16-3-5-17(6-4-16)13-28-15-24-11-19(28)12-26-18-7-9-27(14-18)22(30)20-2-1-8-25-21(20)29/h1-6,8,11,15,18,26H,7,9,12-14H2,(H,25,29)/t18-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


Article DOI: 10.1021/jm010156p
BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%