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Compile Data Set for Download or QSAR

Found 695 hits of ic50 for UniProtKB: P53609   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(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/a 0.160n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50098037
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1 |TLB:10:9:12:5.4.6,THB:8:9:4:7.12.6|
Show InChI InChI=1S/C27H34N6O/c28-15-20-1-3-21(4-2-20)17-33-19-29-16-25(33)18-31-5-7-32(8-6-31)26(34)30-27-12-22-9-23(13-27)11-24(10-22)14-27/h1-4,16,19,22-24H,5-14,17-18H2,(H,30,34)
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Geranylgeranyl transferase type I


Bioorg Med Chem Lett 11: 865-9 (2001)


BindingDB Entry DOI: 10.7270/Q2F47PPX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(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)


BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(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)


BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50115914
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES Clc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C24H24ClN5O2/c25-23-4-2-1-3-21(23)17-32-24(31)29-11-9-28(10-12-29)16-22-14-27-18-30(22)15-20-7-5-19(13-26)6-8-20/h1-8,14,18H,9-12,15-17H2
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n/an/a 0.680n/an/an/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)


BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(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/a 0.810n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50115925
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES COc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H27N5O3/c1-32-24-5-3-2-4-22(24)18-33-25(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 0.840n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50048966
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O4S/c1-4-5-10-19(24(31)32)27-22(29)20-11-16-8-6-7-9-17(16)13-28(20)23(30)21(15(2)3)26-12-18(25)14-33/h6-9,15,18-21,26,33H,4-5,10-14,25H2,1-3H3,(H,27,29)(H,31,32)/t18-,19-,20+,21+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Geranylgeranyl transferase type I


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(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/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50139187
PNG
(4-(2-cyclohexylethyl)-23-oxo-8-oxa-1,15,17,21-tetr...)
Show SMILES O=C1CN2CCN1Cc1cc(Oc3cc(Cn4cncc4C2)ccc3C#N)ccc1CCC1CCCCC1
Show InChI InChI=1S/C31H35N5O2/c32-16-26-9-7-24-14-30(26)38-29-11-10-25(8-6-23-4-2-1-3-5-23)27(15-29)19-35-13-12-34(21-31(35)37)20-28-17-33-22-36(28)18-24/h7,9-11,14-15,17,22-23H,1-6,8,12-13,18-21H2
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 639-43 (2004)


BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50139188
PNG
(4-(3,3-dimethylbutyl)-23-oxo-8-oxa-1,15,17,21-tetr...)
Show SMILES CC(C)(C)CCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C29H33N5O2/c1-29(2,3)9-8-22-6-7-26-13-24(22)17-33-11-10-32(19-28(33)35)18-25-15-31-20-34(25)16-21-4-5-23(14-30)27(12-21)36-26/h4-7,12-13,15,20H,8-11,16-19H2,1-3H3
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 639-43 (2004)


BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(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/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50139184
PNG
(4-(2-cyclohexyl-1-ethynyl)-23-oxo-8-oxa-1,15,17,21...)
Show SMILES O=C1CN2CCN1Cc1cc(Oc3cc(Cn4cncc4C2)ccc3C#N)ccc1C#CC1CCCCC1
Show InChI InChI=1S/C31H31N5O2/c32-16-26-9-7-24-14-30(26)38-29-11-10-25(8-6-23-4-2-1-3-5-23)27(15-29)19-35-13-12-34(21-31(35)37)20-28-17-33-22-36(28)18-24/h7,9-11,14-15,17,22-23H,1-5,12-13,18-21H2
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n/an/a 2.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 639-43 (2004)


BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(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/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(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/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta


(Homo sapiens (Human))
BDBM50126030
PNG
(4-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-pheny...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccccc1)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H21N3O/c1-33-21-32-20-29(33)30(34,17-16-22-8-3-2-4-9-22)25-15-14-24(19-31)28(18-25)27-13-7-11-23-10-5-6-12-26(23)27/h2-15,18,20-21,34H,1H3
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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(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/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition binding constant 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-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(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/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50409707
PNG
(CHEMBL2111612)
Show SMILES CC[C@@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@](C)(N)c2cncn2C)c1 |r|
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/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(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)


BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50048963
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O4S2/c1-24(2,3)20(26-12-17(25)14-33)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-34-4/h5-8,17-20,26,33H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Geranylgeranyl transferase type I


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50112372
PNG
(17-(5,5,5-trifluoro-1-pentynyl)-19-oxa-2,5,10,12-t...)
Show SMILES FC(F)(F)CCC#Cc1ccc2Cn3cncc3CCN3CCN(C(=O)C3)c3cccc4ccc(Oc1c2)cc34
Show InChI InChI=1S/C31H27F3N4O2/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,2,11-15,19-20H2
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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 Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


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


BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50128465
PNG
((S)-2-{[1-((R)-2-Amino-3-mercapto-propionyl)-4-phe...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](N)CS)c1ccccc1
Show InChI InChI=1S/C22H33N3O4S/c1-15(2)13-18(20(27)29-3)24-21(28)22(16-7-5-4-6-8-16)9-11-25(12-10-22)19(26)17(23)14-30/h4-8,15,17-18,30H,9-14,23H2,1-3H3,(H,24,28)/t17-,18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



GPC Biotech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 1935-7 (2003)


BindingDB Entry DOI: 10.7270/Q2SN08CJ
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50128463
PNG
((S)-2-{[1-((R)-2-Amino-3-mercapto-propionyl)-4-phe...)
Show SMILES CC(C)C[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H](N)CS)c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N3O4S/c1-14(2)12-17(19(26)27)23-20(28)21(15-6-4-3-5-7-15)8-10-24(11-9-21)18(25)16(22)13-29/h3-7,14,16-17,29H,8-13,22H2,1-2H3,(H,23,28)(H,26,27)/t16-,17-/m0/s1
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GPC Biotech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 1935-7 (2003)


BindingDB Entry DOI: 10.7270/Q2SN08CJ
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076128
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H29N3O3S/c1-14(2)10-20(22(27)28)25-21(26)18-9-8-17(24-12-16(23)13-29)11-19(18)15-6-4-3-5-7-15/h3-9,11,14,16,20,24,29H,10,12-13,23H2,1-2H3,(H,25,26)(H,27,28)/t16-,20+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GGTase1 isolated from human Burkitt's lymphoma cells assessed as decrease in transfer of [3H]H]geranylgeranyl from [3H]geranylgeranyl P...


J Med Chem 61: 3239-3252 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01817
BindingDB Entry DOI: 10.7270/Q2542R5N
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076128
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H29N3O3S/c1-14(2)10-20(22(27)28)25-21(26)18-9-8-17(24-12-16(23)13-29)11-19(18)15-6-4-3-5-7-15/h3-9,11,14,16,20,24,29H,10,12-13,23H2,1-2H3,(H,25,26)(H,27,28)/t16-,20+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human GGTase1 in human Burkitt lymphoma (Daudi) cell supernatant using [3H]geranylgeranyl


Medchemcomm 4: 476-492 (2013)


Article DOI: 10.1039/c2md20299a
BindingDB Entry DOI: 10.7270/Q2HD7ZN5
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50130367
PNG
((RR)-4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethy...)
Show SMILES CCC1(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
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n/an/a 5.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta [A2V]/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14014
PNG
((5S)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19....)
Show SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13 |r|
Show InChI InChI=1S/C27H23N5O2/c28-14-20-5-4-18-12-26(20)34-22-7-6-19-2-1-3-25(23(19)13-22)32-11-9-24(27(32)33)30-10-8-21-15-29-17-31(21)16-18/h1-7,12-13,15,17,24,30H,8-11,16H2/t24-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzymatic reaction between [3H]GGPP and a biotinylated peptide was carried out in the presence of 5 mM ATP and varying concentrations of inhibit...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50370231
PNG
(CHEMBL1907916)
Show SMILES CC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1 |r|
Show InChI InChI=1S/C26H28N4O2/c1-3-26(11-4-5-13-29(2)25(26)31)22-7-6-8-23(16-22)32-24-15-20(9-10-21(24)17-27)18-30-14-12-28-19-30/h6-10,12,14-16,19H,3-5,11,13,18H2,1-2H3/t26-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50100279
PNG
(2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...)
Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1
Show InChI InChI=1S/C26H28N4O2/c1-3-26(11-4-5-13-29(2)25(26)31)22-7-6-8-23(16-22)32-24-15-20(9-10-21(24)17-27)18-30-14-12-28-19-30/h6-10,12,14-16,19H,3-5,11,13,18H2,1-2H3
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n/an/a 7.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rate of incorporation of [3H]-GGPP into a biotinylated peptide corresponding to C-terminus of human Ki-Ras by human geranylgeranyl-tran...


Bioorg Med Chem Lett 11: 1257-60 (2001)


BindingDB Entry DOI: 10.7270/Q2FX78RS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50100279
PNG
(2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...)
Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1
Show InChI InChI=1S/C26H28N4O2/c1-3-26(11-4-5-13-29(2)25(26)31)22-7-6-8-23(16-22)32-24-15-20(9-10-21(24)17-27)18-30-14-12-28-19-30/h6-10,12,14-16,19H,3-5,11,13,18H2,1-2H3
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n/an/a 7.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076142
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1
Show InChI InChI=1S/C23H31N3O3S/c1-15(2)11-21(23(28)29-3)26-22(27)19-10-9-18(25-13-17(24)14-30)12-20(19)16-7-5-4-6-8-16/h4-10,12,15,17,21,25,30H,11,13-14,24H2,1-3H3,(H,26,27)/t17-,21+/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-GGPP incorporation into H-Ras-CVLL by Geranylgeranyl transferase type I


J Med Chem 42: 1333-40 (1999)


Article DOI: 10.1021/jm9900873
BindingDB Entry DOI: 10.7270/Q28G8JW7
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109937
PNG
((R)-2-[(Indane-2-carbonyl)-amino]-3-naphthalen-1-y...)
Show SMILES SCCCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C26H27NO3S/c28-25(22-15-19-8-1-2-9-20(19)16-22)27-24(26(29)30-13-6-14-31)17-21-11-5-10-18-7-3-4-12-23(18)21/h1-5,7-12,22,24,31H,6,13-17H2,(H,27,28)/t24-/m1/s1
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Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Tested for the inhibition of Candida GGTase I in Candida albicans


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50130381
PNG
(4-[Amino-(3-methyl-3H-imidazol-4-yl)-methyl]-2-[3-...)
Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)C(N)c2cncn2C)c1
Show InChI InChI=1S/C27H31N5O2/c1-4-27(12-5-6-13-31(2)26(27)33)21-8-7-9-22(15-21)34-24-14-19(10-11-20(24)16-28)25(29)23-17-30-18-32(23)3/h7-11,14-15,17-18,25H,4-6,12-13,29H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta [A2V]/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14713
PNG
(GGTI-DU40 | N-[(1S)-1-carbamoyl-2-phenylethyl]-4-{...)
Show SMILES CSCCc1c(OCCCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)n(nc1-c1cccnc1)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C30H31Cl2N5O3S/c1-41-16-13-23-28(21-9-5-14-34-19-21)36-37(22-11-12-24(31)25(32)18-22)30(23)40-15-6-10-27(38)35-26(29(33)39)17-20-7-3-2-4-8-20/h2-5,7-9,11-12,14,18-19,26H,6,10,13,15-17H2,1H3,(H2,33,39)(H,35,38)/t26-/m0/s1
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n/an/a 8.24n/an/an/an/a7.730



Duke University Medical Center



Assay Description
Compounds were tested as inhibitors of FTase or GGTase-1 in vitro using purified recombinant mammalian enzymes to catalyze the reactions between [3H]...


J Biol Chem 281: 12445-50 (2006)


Article DOI: 10.1074/jbc.M600168200
BindingDB Entry DOI: 10.7270/Q2PC30N8
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50115912
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES CCOc1ncccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H28N6O3/c1-2-33-24-22(4-3-9-28-24)18-34-25(32)30-12-10-29(11-13-30)17-23-15-27-19-31(23)16-21-7-5-20(14-26)6-8-21/h3-9,15,19H,2,10-13,16-18H2,1H3
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n/an/a 8.70n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50130375
PNG
(2-[3-(1-Acetyl-3-ethyl-azepan-3-yl)-phenoxy]-4-imi...)
Show SMILES CCC1(CCCCN(C1)C(C)=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1
Show InChI InChI=1S/C27H30N4O2/c1-3-27(11-4-5-13-31(19-27)21(2)32)24-7-6-8-25(16-24)33-26-15-22(9-10-23(26)17-28)18-30-14-12-29-20-30/h6-10,12,14-16,20H,3-5,11,13,18-19H2,1-2H3
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n/an/a 8.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50115924
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES Cc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H27N5O2/c1-20-4-2-3-5-23(20)18-32-25(31)29-12-10-28(11-13-29)17-24-15-27-19-30(24)16-22-8-6-21(14-26)7-9-22/h2-9,15,19H,10-13,16-18H2,1H3
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n/an/a 9.10n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta


(Homo sapiens (Human))
BDBM50126045
PNG
(4-[3-(4-Chloro-phenyl)-1-hydroxy-1-(3-methyl-3H-im...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(Cl)cc1)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H20ClN3O/c1-34-20-33-19-29(34)30(35,16-15-21-9-13-25(31)14-10-21)24-12-11-23(18-32)28(17-24)27-8-4-6-22-5-2-3-7-26(22)27/h2-14,17,19-20,35H,1H3
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n/an/a 9.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50496833
PNG
(CHEMBL3218390)
Show SMILES CC(C)C[C@H](NC(=O)N1CCN(Cc2[nH]cnc2C)C(=O)[C@@H]1Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C23H31N5O4/c1-15(2)11-18(22(30)31)26-23(32)28-10-9-27(13-19-16(3)24-14-25-19)21(29)20(28)12-17-7-5-4-6-8-17/h4-8,14-15,18,20H,9-13H2,1-3H3,(H,24,25)(H,26,32)(H,30,31)/t18-,20-/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human GGTase1 in human Burkitt lymphoma (Daudi) cell supernatant using [3H]geranylgeranyl


Medchemcomm 4: 476-492 (2013)


Article DOI: 10.1039/c2md20299a
BindingDB Entry DOI: 10.7270/Q2HD7ZN5
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109938
PNG
(9H-Xanthene-9-carboxylic acid {(R)-2-(3,4-dichloro...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2c3ccccc3Oc3ccccc23)C(=O)NCCc2cnc[nH]2)cc1Cl
Show InChI InChI=1S/C28H24Cl2N4O3/c29-21-10-9-17(13-22(21)30)14-23(27(35)32-12-11-18-15-31-16-33-18)34-28(36)26-19-5-1-3-7-24(19)37-25-8-4-2-6-20(25)26/h1-10,13,15-16,23,26H,11-12,14H2,(H,31,33)(H,32,35)(H,34,36)/t23-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida geranylgeranyl transferase I at 3 uM


Bioorg Med Chem Lett 12: 629-32 (2002)


BindingDB Entry DOI: 10.7270/Q2251HGT
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50128464
PNG
((S)-2-((S)-2-{[1-((R)-2-Amino-3-mercapto-propionyl...)
Show SMILES CC(C)C[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H](N)CS)c1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C24H36N4O5S/c1-15(2)13-19(20(29)26-16(3)22(31)32)27-23(33)24(17-7-5-4-6-8-17)9-11-28(12-10-24)21(30)18(25)14-34/h4-8,15-16,18-19,34H,9-14,25H2,1-3H3,(H,26,29)(H,27,33)(H,31,32)/t16-,18-,19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GPC Biotech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 1935-7 (2003)


BindingDB Entry DOI: 10.7270/Q2SN08CJ
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta


(Homo sapiens (Human))
BDBM50126035
PNG
(4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C31H20N4O/c1-35-21-34-20-30(35)31(36,16-15-22-9-11-23(18-32)12-10-22)26-14-13-25(19-33)29(17-26)28-8-4-6-24-5-2-3-7-27(24)28/h2-14,17,20-21,36H,1H3
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta


(Homo sapiens (Human))
BDBM50127308
PNG
(5-[(4-Cyano-2-naphthalen-1-yl-benzyloxy)-(3-methyl...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc2ccccc12)C#N)c1ccc(nc1)C#N
Show InChI InChI=1S/C29H21N5O/c1-34-19-32-17-28(34)29(22-11-12-24(15-31)33-16-22)35-18-23-10-9-20(14-30)13-27(23)26-8-4-6-21-5-2-3-7-25(21)26/h2-13,16-17,19,29H,18H2,1H3
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n/an/a>10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transfer of [3H]-FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine GGTase-I


Bioorg Med Chem Lett 13: 1571-4 (2003)


BindingDB Entry DOI: 10.7270/Q27080TK
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta


(Homo sapiens (Human))
BDBM50127319
PNG
(5-[(2-Benzo[1,3]dioxol-5-yl-4-cyano-benzyloxy)-(3-...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(nc1)C#N
Show InChI InChI=1S/C26H19N5O3/c1-31-15-29-13-23(31)26(19-4-6-21(11-28)30-12-19)32-14-20-3-2-17(10-27)8-22(20)18-5-7-24-25(9-18)34-16-33-24/h2-9,12-13,15,26H,14,16H2,1H3
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n/an/a>10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transfer of [3H]-FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine GGTase-I


Bioorg Med Chem Lett 13: 1571-4 (2003)


BindingDB Entry DOI: 10.7270/Q27080TK
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50130366
PNG
(2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...)
Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cc3cncn3C)ccc2C#N)c1
Show InChI InChI=1S/C27H30N4O2/c1-4-27(12-5-6-13-30(2)26(27)32)22-8-7-9-24(16-22)33-25-15-20(10-11-21(25)17-28)14-23-18-29-19-31(23)3/h7-11,15-16,18-19H,4-6,12-14H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


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-1 subunit beta


(Homo sapiens (Human))
BDBM50127328
PNG
(5-(3-Chloro-phenyl)-4-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1cc(ncc1-c1cccc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H18ClN5O/c1-31-16-29-14-24(31)25(18-7-5-17(11-27)6-8-18)32-15-20-10-22(12-28)30-13-23(20)19-3-2-4-21(26)9-19/h2-10,13-14,16,25H,15H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transfer of [3H]-FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine GGTase-I


Bioorg Med Chem Lett 13: 1571-4 (2003)


BindingDB Entry DOI: 10.7270/Q27080TK
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta


(Homo sapiens (Human))
BDBM50127305
PNG
(5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1ccc(nc1-c1ccccc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H19N5O/c1-30-17-28-15-23(30)25(20-9-7-18(13-26)8-10-20)31-16-21-11-12-22(14-27)29-24(21)19-5-3-2-4-6-19/h2-12,15,17,25H,16H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transfer of [3H]-FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine GGTase-I


Bioorg Med Chem Lett 13: 1571-4 (2003)


BindingDB Entry DOI: 10.7270/Q27080TK
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta


(Homo sapiens (Human))
BDBM50127299
PNG
(5-[(5-Cyano-3',5'-difluoro-biphenyl-2-ylmethoxy)-(...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cc(F)cc(F)c1)C#N)c1ccc(nc1)C#N
Show InChI InChI=1S/C25H17F2N5O/c1-32-15-30-13-24(32)25(17-4-5-22(11-29)31-12-17)33-14-18-3-2-16(10-28)6-23(18)19-7-20(26)9-21(27)8-19/h2-9,12-13,15,25H,14H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transfer of [3H]-FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine GGTase-I


Bioorg Med Chem Lett 13: 1571-4 (2003)


BindingDB Entry DOI: 10.7270/Q27080TK
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta


(Homo sapiens (Human))
BDBM50127325
PNG
(5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1ccc(nc1N1CCOCC1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H22N6O2/c1-28-16-26-14-21(28)22(18-4-2-17(12-24)3-5-18)31-15-19-6-7-20(13-25)27-23(19)29-8-10-30-11-9-29/h2-7,14,16,22H,8-11,15H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transfer of [3H]-FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine GGTase-I


Bioorg Med Chem Lett 13: 1571-4 (2003)


BindingDB Entry DOI: 10.7270/Q27080TK
More data for this
Ligand-Target Pair
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