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Compile Data Set for Download or QSAR

Found 603 hits Enz. Inhib. hit(s) with Target = 'Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115916
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES FC(F)(F)Oc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)36-23-4-2-1-3-21(23)17-35-24(34)32-11-9-31(10-12-32)16-22-14-30-18-33(22)15-20-7-5-19(13-29)6-8-20/h1-8,14,18H,9-12,15-17H2
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n/an/an/an/a 18n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of geranyl-geranylation of C-terminal CAAX sequence of Rap 1a in PSN-1 cells


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130365
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CN1CCCC[C@@](CCC(F)(F)F)(c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O
Show InChI InChI=1S/C29H32F3N5O2/c1-27(34,25-18-35-19-37(25)3)21-10-9-20(17-33)24(16-21)39-23-8-6-7-22(15-23)28(12-13-29(30,31)32)11-4-5-14-36(2)26(28)38/h6-10,15-16,18-19H,4-5,11-14,34H2,1-3H3/t27-,28+/m0/s1
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n/an/an/an/a 47n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rap1a protein geranylgeranylation in human PSN1 cells


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115928
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES FC(F)(F)Cc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C26H26F3N5O2/c27-26(28,29)13-22-3-1-2-4-23(22)18-36-25(35)33-11-9-32(10-12-33)17-24-15-31-19-34(24)16-21-7-5-20(14-30)6-8-21/h1-8,15,19H,9-13,16-18H2
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n/an/an/an/a 50n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115911
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES CCOc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C26H29N5O3/c1-2-33-25-6-4-3-5-23(25)19-34-26(32)30-13-11-29(12-14-30)18-24-16-28-20-31(24)17-22-9-7-21(15-27)8-10-22/h3-10,16,20H,2,11-14,17-19H2,1H3
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n/an/an/an/a 71n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130372
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CN1CCCC[C@@](CC2CC2)(c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O
Show InChI InChI=1S/C30H35N5O2/c1-29(32,27-19-33-20-35(27)3)23-12-11-22(18-31)26(16-23)37-25-8-6-7-24(15-25)30(17-21-9-10-21)13-4-5-14-34(2)28(30)36/h6-8,11-12,15-16,19-21H,4-5,9-10,13-14,17,32H2,1-3H3/t29-,30+/m0/s1
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n/an/an/an/a 87n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rap1a protein geranylgeranylation in human PSN1 cells


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50409709
PNG
(CHEMBL439047)
Show SMILES CC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@@](C)(N)c2cncn2C)c1
Show InChI InChI=1S/C28H33N5O2/c1-5-28(13-6-7-14-32(3)26(28)34)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,30)25-18-31-19-33(25)4/h8-12,15-16,18-19H,5-7,13-14,30H2,1-4H3/t27-,28+/m1/s1
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n/an/an/an/a 140n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rap1a protein geranylgeranylation in human PSN1 cells


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130378
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CCC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@](C)(N)c2cncn2C)c1
Show InChI InChI=1S/C29H35N5O2/c1-5-13-29(14-6-7-15-33(3)27(29)35)23-9-8-10-24(16-23)36-25-17-22(12-11-21(25)18-30)28(2,31)26-19-32-20-34(26)4/h8-12,16-17,19-20H,5-7,13-15,31H2,1-4H3/t28-,29-/m0/s1
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n/an/an/an/a 220n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rap1a protein geranylgeranylation in human PSN1 cells


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130373
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CCCC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@](C)(N)c2cncn2C)c1
Show InChI InChI=1S/C30H37N5O2/c1-5-6-14-30(15-7-8-16-34(3)28(30)36)24-10-9-11-25(17-24)37-26-18-23(13-12-22(26)19-31)29(2,32)27-20-33-21-35(27)4/h9-13,17-18,20-21H,5-8,14-16,32H2,1-4H3/t29-,30-/m0/s1
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n/an/an/an/a 250n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rap1a protein geranylgeranylation in human PSN1 cells


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50143599
PNG
(2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]...)
Show SMILES CC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@](C)(N)c2cncn2C)c1
Show InChI InChI=1S/C28H33N5O2/c1-5-28(13-6-7-14-32(3)26(28)34)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,30)25-18-31-19-33(25)4/h8-12,15-16,18-19H,5-7,13-14,30H2,1-4H3/t27-,28-/m0/s1
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n/an/an/an/a 470n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rap1a protein geranylgeranylation in human PSN1 cells


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115923
PNG
(4-[3-(4-Cyano-benzyl)-2-methyl-3H-imidazol-4-ylmet...)
Show SMILES COCc1ccccc1COC(=O)N1CCN(Cc2cnc(C)n2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C27H31N5O3/c1-21-29-16-26(32(21)17-23-9-7-22(15-28)8-10-23)18-30-11-13-31(14-12-30)27(33)35-20-25-6-4-3-5-24(25)19-34-2/h3-10,16H,11-14,17-20H2,1-2H3
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n/an/an/an/a 680n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of geranyl-geranylation of the C-terminal CAAX sequence of Rap 1a in PSN-1 cells


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50409707
PNG
(CHEMBL2111612)
Show SMILES CC[C@@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@](C)(N)c2cncn2C)c1
Show InChI InChI=1S/C28H33N5O2/c1-5-28(13-6-7-14-32(3)26(28)34)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,30)25-18-31-19-33(25)4/h8-12,15-16,18-19H,5-7,13-14,30H2,1-4H3/t27-,28+/m0/s1
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n/an/an/an/a 720n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rap1a protein geranylgeranylation in human PSN1 cells


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50112383
PNG
(17-(5,5,5-trifluoropentyl)-19-oxa-2,5,10,12-tetraa...)
Show SMILES FC(F)(F)CCCCc1ccc2Cn3cncc3CCN3CCN(C(=O)C3)c3cccc4ccc(Oc1c2)cc34
Show InChI InChI=1S/C31H31F3N4O2/c32-31(33,34)12-2-1-4-24-8-7-22-16-29(24)40-26-10-9-23-5-3-6-28(27(23)17-26)38-15-14-36(20-30(38)39)13-11-25-18-35-21-37(25)19-22/h3,5-10,16-18,21H,1-2,4,11-15,19-20H2
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n/an/an/an/a 800n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporation of [3H]-GGPP into a biotinylated peptide corresponding to the C-ter...


Bioorg Med Chem Lett 12: 1269-73 (2002)


Article DOI: 10.1016/s0960-894x(02)00154-3
BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130374
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CN1CCCC[C@@](CCC2CC2)(c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O
Show InChI InChI=1S/C31H37N5O2/c1-30(33,28-20-34-21-36(28)3)24-12-11-23(19-32)27(18-24)38-26-8-6-7-25(17-26)31(15-13-22-9-10-22)14-4-5-16-35(2)29(31)37/h6-8,11-12,17-18,20-22H,4-5,9-10,13-16,33H2,1-3H3/t30-,31+/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rap1a protein geranylgeranylation in human PSN1 cells


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50409708
PNG
(CHEMBL400694)
Show SMILES CC[C@@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@@](C)(N)c2cncn2C)c1
Show InChI InChI=1S/C28H33N5O2/c1-5-28(13-6-7-14-32(3)26(28)34)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,30)25-18-31-19-33(25)4/h8-12,15-16,18-19H,5-7,13-14,30H2,1-4H3/t27-,28-/m1/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rap1a protein geranylgeranylation in human PSN1 cells


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50112379
PNG
(1-(3-Chloro-phenyl)-4-{2-[3-(2-methoxy-4'-trifluor...)
Show SMILES COc1cc(Cn2cncc2CCN2CCN(C(=O)C2)c2cccc(Cl)c2)ccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H28ClF3N4O2/c1-40-28-15-21(5-10-27(28)22-6-8-23(9-7-22)30(32,33)34)18-37-20-35-17-26(37)11-12-36-13-14-38(29(39)19-36)25-4-2-3-24(31)16-25/h2-10,15-17,20H,11-14,18-19H2,1H3
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n/an/an/an/a 3.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporation of [3H]-GGPP into a biotinylated peptide corresponding to the C-ter...


Bioorg Med Chem Lett 12: 1269-73 (2002)


Article DOI: 10.1016/s0960-894x(02)00154-3
BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130368
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CN1CCCC[C@@](C)(c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O
Show InChI InChI=1S/C27H31N5O2/c1-26(12-5-6-13-31(3)25(26)33)20-8-7-9-22(14-20)34-23-15-21(11-10-19(23)16-28)27(2,29)24-17-30-18-32(24)4/h7-11,14-15,17-18H,5-6,12-13,29H2,1-4H3/t26-,27-/m0/s1
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n/an/an/an/a 3.99E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rap1a protein geranylgeranylation in human PSN1 cells


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50097071
PNG
(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
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n/an/an/an/a 6.80E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranyl transferase type I


J Med Chem 47: 1869-78 (2004)


Article DOI: 10.1021/jm0305467
BindingDB Entry DOI: 10.7270/Q2RX9CVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50143597
PNG
((S)-2-(2-[2-(4-Fluoro-phenyl)-ethyl]-5-{[(1S,4S)-4...)
Show SMILES CSCC[C@H](NC(=O)c1cc(NC[C@@H]2C[C@@H](CN2)SC(=O)c2cccnc2)ccc1CCc1ccc(F)cc1)C(=O)OC(C)C
Show InChI InChI=1S/C34H41FN4O4S2/c1-22(2)43-33(41)31(14-16-44-3)39-32(40)30-18-27(13-10-24(30)9-6-23-7-11-26(35)12-8-23)37-20-28-17-29(21-38-28)45-34(42)25-5-4-15-36-19-25/h4-5,7-8,10-13,15,18-19,22,28-29,31,37-38H,6,9,14,16-17,20-21H2,1-3H3,(H,39,40)/t28-,29-,31-/m0/s1
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8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition binding constant against Geranylgeranyl transferase type I


J Med Chem 47: 1869-78 (2004)


Article DOI: 10.1021/jm0305467
BindingDB Entry DOI: 10.7270/Q2RX9CVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115911
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES CCOc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C26H29N5O3/c1-2-33-25-6-4-3-5-23(25)19-34-26(32)30-13-11-29(12-14-30)18-24-16-28-20-31(24)17-22-9-7-21(15-27)8-10-22/h3-10,16,20H,2,11-14,17-19H2,1H3
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n/an/a 0.320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115928
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES FC(F)(F)Cc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C26H26F3N5O2/c27-26(28,29)13-22-3-1-2-4-23(22)18-36-25(35)33-11-9-32(10-12-33)17-24-15-31-19-34(24)16-21-7-5-20(14-30)6-8-21/h1-8,15,19H,9-13,16-18H2
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115918
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES CS(=O)(=O)c1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H27N5O4S/c1-35(32,33)24-5-3-2-4-22(24)18-34-25(31)29-12-10-28(11-13-29)17-23-15-27-19-30(23)16-21-8-6-20(14-26)7-9-21/h2-9,15,19H,10-13,16-18H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115923
PNG
(4-[3-(4-Cyano-benzyl)-2-methyl-3H-imidazol-4-ylmet...)
Show SMILES COCc1ccccc1COC(=O)N1CCN(Cc2cnc(C)n2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C27H31N5O3/c1-21-29-16-26(32(21)17-23-9-7-22(15-28)8-10-23)18-30-11-13-31(14-12-30)27(33)35-20-25-6-4-3-5-24(25)19-34-2/h3-10,16H,11-14,17-20H2,1-2H3
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n/an/a 178n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115919
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES COCc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C26H29N5O3/c1-33-18-23-4-2-3-5-24(23)19-34-26(32)30-12-10-29(11-13-30)17-25-15-28-20-31(25)16-22-8-6-21(14-27)7-9-22/h2-9,15,20H,10-13,16-19H2,1H3
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n/an/a 0.320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115927
PNG
(4-[3-(4-Cyano-benzyl)-2-methyl-3H-imidazol-4-ylmet...)
Show SMILES Cc1ncc(CN2CCN(CC2)C(=O)OCc2ccccc2OC(F)(F)F)n1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C26H26F3N5O3/c1-19-31-15-23(34(19)16-21-8-6-20(14-30)7-9-21)17-32-10-12-33(13-11-32)25(35)36-18-22-4-2-3-5-24(22)37-26(27,28)29/h2-9,15H,10-13,16-18H2,1H3
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n/an/a 53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115926
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES O=C(OCc1ccc2OCOc2c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H25N5O4/c26-12-19-1-3-20(4-2-19)14-30-17-27-13-22(30)15-28-7-9-29(10-8-28)25(31)32-16-21-5-6-23-24(11-21)34-18-33-23/h1-6,11,13,17H,7-10,14-16,18H2
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n/an/a 121n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115917
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES O=C(OCc1cccc2OCOc12)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H25N5O4/c26-12-19-4-6-20(7-5-19)14-30-17-27-13-22(30)15-28-8-10-29(11-9-28)25(31)32-16-21-2-1-3-23-24(21)34-18-33-23/h1-7,13,17H,8-11,14-16,18H2
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50106866
PNG
(CHEMBL103387 | [1-(3-Methyl-3H-imidazol-4-ylmethyl...)
Show SMILES Cn1cncc1Cn1cc(C(=O)N2CCOCC2)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C24H24N4O2/c1-26-17-25-13-19(26)14-27-15-22(21-8-4-6-18-5-2-3-7-20(18)21)23(16-27)24(29)28-9-11-30-12-10-28/h2-8,13,15-17H,9-12,14H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranyl transferase type I


Bioorg Med Chem Lett 11: 3069-72 (2001)


Article DOI: 10.1016/s0960-894x(01)00624-2
BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50106864
PNG
((1-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-imidazo...)
Show SMILES CN1CCN(CC1)C(=O)c1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C32H31N5O3/c1-34-11-13-36(14-12-34)32(38)29-20-35(19-28(29)27-8-4-6-24-5-2-3-7-26(24)27)18-25-16-33-21-37(25)17-23-9-10-30-31(15-23)40-22-39-30/h2-10,15-16,19-21H,11-14,17-18,22H2,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranyl transferase type I


Bioorg Med Chem Lett 11: 3069-72 (2001)


Article DOI: 10.1016/s0960-894x(01)00624-2
BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Rattus norvegicus (rat))
BDBM50061465
PNG
(1-[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohept...)
Show SMILES Clc1ccc2C(N3CCN(CC3)C(=O)Cc3cccnc3)c3ncccc3CCc2c1
Show InChI InChI=1S/C25H25ClN4O/c26-21-7-8-22-20(16-21)6-5-19-4-2-10-28-24(19)25(22)30-13-11-29(12-14-30)23(31)15-18-3-1-9-27-17-18/h1-4,7-10,16-17,25H,5-6,11-15H2
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n/an/a>4.60E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat Geranylgeranyl transferase (GGPT)


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50106862
PNG
(CHEMBL322890 | [1-(3-Benzo[1,3]dioxol-5-ylmethyl-3...)
Show SMILES O=C(N1CCOCC1)c1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C31H28N4O4/c36-31(34-10-12-37-13-11-34)28-19-33(18-27(28)26-7-3-5-23-4-1-2-6-25(23)26)17-24-15-32-20-35(24)16-22-8-9-29-30(14-22)39-21-38-29/h1-9,14-15,18-20H,10-13,16-17,21H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



LGCI

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranyl transferase type I


Bioorg Med Chem Lett 11: 3069-72 (2001)


Article DOI: 10.1016/s0960-894x(01)00624-2
BindingDB Entry DOI: 10.7270/Q2ZW1K7T
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115927
PNG
(4-[3-(4-Cyano-benzyl)-2-methyl-3H-imidazol-4-ylmet...)
Show SMILES Cc1ncc(CN2CCN(CC2)C(=O)OCc2ccccc2OC(F)(F)F)n1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C26H26F3N5O3/c1-19-31-15-23(34(19)16-21-8-6-20(14-30)7-9-21)17-32-10-12-33(13-11-32)25(35)36-18-22-4-2-3-5-24(22)37-26(27,28)29/h2-9,15H,10-13,16-18H2,1H3
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n/an/a 660n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135374
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(F)ccc1F)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19F2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-21(9-18(12-30)26(34)33(24)2)20-10-19(27)7-8-22(20)28/h3-10,13,15,25H,14H2,1-2H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135366
PNG
(6-[(3-Chloro-4-cyano-phenyl)-(3-methyl-3H-imidazol...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(Cl)cc(Cl)c1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C26H18Cl3N5O2/c1-33-14-32-12-23(33)25(15-3-4-16(10-30)22(29)8-15)36-13-24-21(7-18(11-31)26(35)34(24)2)17-5-19(27)9-20(28)6-17/h3-9,12,14,25H,13H2,1-2H3
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n/an/a 190n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135392
PNG
(6-[(4-Cyano-3-iodo-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(Cl)cc(Cl)c1)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C26H18Cl2IN5O2/c1-33-14-32-12-23(33)25(15-3-4-16(10-30)22(29)8-15)36-13-24-21(7-18(11-31)26(35)34(24)2)17-5-19(27)9-20(28)6-17/h3-9,12,14,25H,13H2,1-2H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135389
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1CC1CC1)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H24ClN5O2/c1-34-18-33-15-26(34)28(21-9-7-19(13-31)8-10-21)37-17-27-25(22-3-2-4-24(30)11-22)12-23(14-32)29(36)35(27)16-20-5-6-20/h2-4,7-12,15,18,20,28H,5-6,16-17H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135387
PNG
(6-[(3'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(Cl)cc(Cl)c1)c1ccc(C#N)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C32H22Cl3N5O2/c1-39-18-38-16-29(39)31(20-6-7-21(14-36)27(11-20)19-4-3-5-24(33)8-19)42-17-30-28(12-23(15-37)32(41)40(30)2)22-9-25(34)13-26(35)10-22/h3-13,16,18,31H,17H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135370
PNG
(6-[(3'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(C#N)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C32H23Cl2N5O2/c1-38-19-37-17-29(38)31(22-9-10-23(15-35)27(13-22)20-5-3-7-25(33)11-20)41-18-30-28(21-6-4-8-26(34)12-21)14-24(16-36)32(40)39(30)2/h3-14,17,19,31H,18H2,1-2H3
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n/an/a 94n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135375
PNG
(6-[(4'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C33H23ClF3N5O3/c1-41-19-40-17-29(41)31(22-3-4-23(15-38)27(13-22)20-5-9-25(34)10-6-20)44-18-30-28(14-24(16-39)32(43)42(30)2)21-7-11-26(12-8-21)45-33(35,36)37/h3-14,17,19,31H,18H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135371
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(F)c1F)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19F2N5O2/c1-32-15-31-13-22(32)25(17-8-6-16(11-29)7-9-17)35-14-23-20(10-18(12-30)26(34)33(23)2)19-4-3-5-21(27)24(19)28/h3-10,13,15,25H,14H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135360
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES CCCn1c(COC(c2cncn2C)c2ccc(cc2)C#N)c(cc(C#N)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H24ClN5O2/c1-3-11-34-26(24(13-22(15-31)28(34)35)21-5-4-6-23(29)12-21)17-36-27(25-16-32-18-33(25)2)20-9-7-19(14-30)8-10-20/h4-10,12-13,16,18,27H,3,11,17H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135376
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(2,3-dimet...)
Show SMILES Cc1ncc(C(OCc2c(cc(C#N)c(=O)n2C)-c2cccc(Cl)c2)c2ccc(cc2)C#N)n1C
Show InChI InChI=1S/C27H22ClN5O2/c1-17-31-15-24(32(17)2)26(19-9-7-18(13-29)8-10-19)35-16-25-23(20-5-4-6-22(28)11-20)12-21(14-30)27(34)33(25)3/h4-12,15,26H,16H2,1-3H3
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n/an/a>900n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135368
PNG
(5-(3-Chloro-5-fluoro-phenyl)-6-[(4-cyano-phenyl)-(...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(F)cc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19ClFN5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-22(9-19(12-30)26(34)33(24)2)18-7-20(27)10-21(28)8-18/h3-10,13,15,25H,14H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135378
PNG
(5-(3-Bromo-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Br)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20BrN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135355
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc2OC(F)(F)Oc2c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H19F2N5O4/c1-33-15-32-13-21(33)25(17-5-3-16(11-30)4-6-17)36-14-22-20(9-19(12-31)26(35)34(22)2)18-7-8-23-24(10-18)38-27(28,29)37-23/h3-10,13,15,25H,14H2,1-2H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50112378
PNG
(17-butyl-19-oxa-2,5,10,12-tetraazahexacyclo[18.6.2...)
Show SMILES CCCCc1ccc2Cn3cncc3CCN3CCN(C(=O)C3)c3cccc4ccc(Oc1c2)cc34
Show InChI InChI=1S/C30H32N4O2/c1-2-3-5-24-9-8-22-16-29(24)36-26-11-10-23-6-4-7-28(27(23)17-26)34-15-14-32(20-30(34)35)13-12-25-18-31-21-33(25)19-22/h4,6-11,16-18,21H,2-3,5,12-15,19-20H2,1H3
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n/an/a 2.48E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 12: 1269-73 (2002)


Article DOI: 10.1016/s0960-894x(02)00154-3
BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50112376
PNG
(1-(3-Chloro-phenyl)-4-{3-[6-(4-trifluoromethyl-phe...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(Cn2cncc2CN2CCN(C(=O)C2)c2cccc(Cl)c2)cn1
Show InChI InChI=1S/C27H23ClF3N5O/c28-22-2-1-3-23(12-22)36-11-10-34(17-26(36)37)16-24-14-32-18-35(24)15-19-4-9-25(33-13-19)20-5-7-21(8-6-20)27(29,30)31/h1-9,12-14,18H,10-11,15-17H2
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n/an/a 509n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in v-Ha-ras-transformed Rat1 cells.


Bioorg Med Chem Lett 12: 1269-73 (2002)


Article DOI: 10.1016/s0960-894x(02)00154-3
BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50112388
PNG
(19-oxa-2,5,10,12-tetraazahexacyclo[18.6.2.22,5.114...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cccc(Cn5cncc5CC2)c4)cc13
Show InChI InChI=1S/C26H24N4O2/c31-26-17-28-10-9-21-15-27-18-29(21)16-19-3-1-5-22(13-19)32-23-8-7-20-4-2-6-25(24(20)14-23)30(26)12-11-28/h1-8,13-15,18H,9-12,16-17H2
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n/an/a 509n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporation of [3H]-GGPP into a biotinylated peptide corresponding to the C-ter...


Bioorg Med Chem Lett 12: 1269-73 (2002)


Article DOI: 10.1016/s0960-894x(02)00154-3
BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50112391
PNG
(1-(3-Chloro-phenyl)-4-{3-[6-(4-trifluoromethoxy-ph...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc(Cn2cncc2CN2CCN(C(=O)C2)c2cccc(Cl)c2)cn1
Show InChI InChI=1S/C27H23ClF3N5O2/c28-21-2-1-3-22(12-21)36-11-10-34(17-26(36)37)16-23-14-32-18-35(23)15-19-4-9-25(33-13-19)20-5-7-24(8-6-20)38-27(29,30)31/h1-9,12-14,18H,10-11,15-17H2
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n/an/a 560n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 12: 1269-73 (2002)


Article DOI: 10.1016/s0960-894x(02)00154-3
BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50112380
PNG
(4-[3-(3',5'-Bis-trifluoromethyl-biphenyl-4-ylmethy...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1ccc(Cn2cncc2CN2CCN(C(=O)C2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C29H23ClF6N4O/c30-24-2-1-3-25(13-24)40-9-8-38(17-27(40)41)16-26-14-37-18-39(26)15-19-4-6-20(7-5-19)21-10-22(28(31,32)33)12-23(11-21)29(34,35)36/h1-7,10-14,18H,8-9,15-17H2
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n/an/a 1.87E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporation of [3H]-GGPP into a biotinylated peptide corresponding to the C-ter...


Bioorg Med Chem Lett 12: 1269-73 (2002)


Article DOI: 10.1016/s0960-894x(02)00154-3
BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50112381
PNG
(17-(4-trifluoromethylphenyl)-19-oxa-2,5,10,12-tetr...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2Cn3cncc3CCN3CCN(C(=O)C3)c3cccc4ccc(Oc1c2)cc34
Show InChI InChI=1S/C33H27F3N4O2/c34-33(35,36)25-8-5-24(6-9-25)28-11-4-22-16-31(28)42-27-10-7-23-2-1-3-30(29(23)17-27)40-15-14-38(20-32(40)41)13-12-26-18-37-21-39(26)19-22/h1-11,16-18,21H,12-15,19-20H2
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporation of [3H]-GGPP into a biotinylated peptide corresponding to the C-ter...


Bioorg Med Chem Lett 12: 1269-73 (2002)


Article DOI: 10.1016/s0960-894x(02)00154-3
BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair
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