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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50037161   
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 subunit beta/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 0.120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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
Protein farnesyltransferase subunit beta/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 0.180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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
Protein farnesyltransferase subunit beta/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 0.190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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
Protein farnesyltransferase subunit beta/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 0.190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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
Protein farnesyltransferase subunit beta/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 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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
Protein farnesyltransferase subunit beta/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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Article
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n/an/a 0.380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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


(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/a 0.410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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
Protein farnesyltransferase subunit beta/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 0.460n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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
Protein farnesyltransferase subunit beta/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 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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


(Homo sapiens (Human))
BDBM50130376
PNG
(2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...)
Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)C(C)(O)c2cncn2C)c1
Show InChI InChI=1S/C28H32N4O3/c1-5-28(13-6-7-14-31(3)26(28)33)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,34)25-18-30-19-32(25)4/h8-12,15-16,18-19,34H,5-7,13-14H2,1-4H3
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50130371
PNG
(2-[3-(3-Ethyl-2-oxo-azepan-3-yl)-phenoxy]-4-imidaz...)
Show SMILES CCC1(CCCCNC1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1
Show InChI InChI=1S/C25H26N4O2/c1-2-25(10-3-4-11-28-24(25)30)21-6-5-7-22(15-21)31-23-14-19(8-9-20(23)16-26)17-29-13-12-27-18-29/h5-9,12-15,18H,2-4,10-11,17H2,1H3,(H,28,30)
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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
Protein farnesyltransferase subunit beta/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 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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))
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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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
Protein farnesyltransferase subunit beta/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 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50130364
PNG
(2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...)
Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)C(O)c2cncn2C)c1
Show InChI InChI=1S/C27H30N4O3/c1-4-27(12-5-6-13-30(2)26(27)33)21-8-7-9-22(15-21)34-24-14-19(10-11-20(24)16-28)25(32)23-17-29-18-31(23)3/h7-11,14-15,17-18,25,32H,4-6,12-13H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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))
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))
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
Protein farnesyltransferase subunit beta/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 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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 (docked)
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))
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/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 7.20n/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))
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/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))
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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50130377
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CN1CCCC[C@@H](c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O
Show InChI InChI=1S/C26H29N5O2/c1-26(28,24-16-29-17-31(24)3)20-11-10-19(15-27)23(14-20)33-21-8-6-7-18(13-21)22-9-4-5-12-30(2)25(22)32/h6-8,10-11,13-14,16-17,22H,4-5,9,12,28H2,1-3H3/t22-,26-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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))
BDBM50130382
PNG
(2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...)
Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cc3cnc[nH]3)ccc2C#N)c1
Show InChI InChI=1S/C26H28N4O2/c1-3-26(11-4-5-12-30(2)25(26)31)21-7-6-8-23(15-21)32-24-14-19(9-10-20(24)16-27)13-22-17-28-18-29-22/h6-10,14-15,17-18H,3-5,11-13H2,1-2H3,(H,28,29)
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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 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))
BDBM50130376
PNG
(2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...)
Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)C(C)(O)c2cncn2C)c1
Show InChI InChI=1S/C28H32N4O3/c1-5-28(13-6-7-14-31(3)26(28)33)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,34)25-18-30-19-32(25)4/h8-12,15-16,18-19,34H,5-7,13-14H2,1-4H3
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n/an/a 13n/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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50130382
PNG
(2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...)
Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cc3cnc[nH]3)ccc2C#N)c1
Show InChI InChI=1S/C26H28N4O2/c1-3-26(11-4-5-12-30(2)25(26)31)21-7-6-8-23(15-21)32-24-14-19(9-10-20(24)16-27)13-22-17-28-18-29-22/h6-10,14-15,17-18H,3-5,11-13H2,1-2H3,(H,28,29)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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))
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/a 13n/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))
BDBM50130364
PNG
(2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...)
Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)C(O)c2cncn2C)c1
Show InChI InChI=1S/C27H30N4O3/c1-4-27(12-5-6-13-30(2)26(27)33)21-8-7-9-22(15-21)34-24-14-19(10-11-20(24)16-28)25(32)23-17-29-18-31(23)3/h7-11,14-15,17-18,25,32H,4-6,12-13H2,1-3H3
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n/an/a 17n/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))
BDBM50130371
PNG
(2-[3-(3-Ethyl-2-oxo-azepan-3-yl)-phenoxy]-4-imidaz...)
Show SMILES CCC1(CCCCNC1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1
Show InChI InChI=1S/C25H26N4O2/c1-2-25(10-3-4-11-28-24(25)30)21-6-5-7-22(15-21)31-23-14-19(8-9-20(23)16-26)17-29-13-12-27-18-29/h5-9,12-15,18H,2-4,10-11,17H2,1H3,(H,28,30)
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n/an/a 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))
BDBM50409710
PNG
(CHEMBL2092921)
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-/m1/s1
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n/an/a 25n/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))
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/a 30n/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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50130369
PNG
(4-((1H-imidazol-1-yl)methyl)-2-(3-(2-oxoazepan-3-y...)
Show SMILES O=C1NCCCCC1c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1
Show InChI InChI=1S/C23H22N4O2/c24-14-19-8-7-17(15-27-11-10-25-16-27)12-22(19)29-20-5-3-4-18(13-20)21-6-1-2-9-26-23(21)28/h3-5,7-8,10-13,16,21H,1-2,6,9,15H2,(H,26,28)
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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))
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/a 54n/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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50130370
PNG
(4-Imidazol-1-ylmethyl-2-[3-(1-methyl-2-oxo-azepan-...)
Show SMILES CN1CCCCC(c2cccc(Oc3cc(Cn4ccnc4)ccc3C#N)c2)C1=O
Show InChI InChI=1S/C24H24N4O2/c1-27-11-3-2-7-22(24(27)29)19-5-4-6-21(14-19)30-23-13-18(8-9-20(23)15-25)16-28-12-10-26-17-28/h4-6,8-10,12-14,17,22H,2-3,7,11,16H2,1H3
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n/an/a 61n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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))
BDBM50130377
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CN1CCCC[C@@H](c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O
Show InChI InChI=1S/C26H29N5O2/c1-26(28,24-16-29-17-31(24)3)20-11-10-19(15-27)23(14-20)33-21-8-6-7-18(13-21)22-9-4-5-12-30(2)25(22)32/h6-8,10-11,13-14,16-17,22H,4-5,9,12,28H2,1-3H3/t22-,26-/m0/s1
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n/an/a 92n/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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50130380
PNG
(2-[3-(3-Ethyl-azepan-3-yl)-phenoxy]-4-imidazol-1-y...)
Show SMILES CCC1(CCCCNC1)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1
Show InChI InChI=1S/C25H28N4O/c1-2-25(10-3-4-11-27-18-25)22-6-5-7-23(15-22)30-24-14-20(8-9-21(24)16-26)17-29-13-12-28-19-29/h5-9,12-15,19,27H,2-4,10-11,17-18H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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))
BDBM50130380
PNG
(2-[3-(3-Ethyl-azepan-3-yl)-phenoxy]-4-imidazol-1-y...)
Show SMILES CCC1(CCCCNC1)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1
Show InChI InChI=1S/C25H28N4O/c1-2-25(10-3-4-11-27-18-25)22-6-5-7-23(15-22)30-24-14-20(8-9-21(24)16-26)17-29-13-12-28-19-29/h5-9,12-15,19,27H,2-4,10-11,17-18H2,1H3
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n/an/a 280n/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))
BDBM50130370
PNG
(4-Imidazol-1-ylmethyl-2-[3-(1-methyl-2-oxo-azepan-...)
Show SMILES CN1CCCCC(c2cccc(Oc3cc(Cn4ccnc4)ccc3C#N)c2)C1=O
Show InChI InChI=1S/C24H24N4O2/c1-27-11-3-2-7-22(24(27)29)19-5-4-6-21(14-19)30-23-13-18(8-9-20(23)15-25)16-28-12-10-26-17-28/h4-6,8-10,12-14,17,22H,2-3,7,11,16H2,1H3
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n/an/a 560n/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))
BDBM50130369
PNG
(4-((1H-imidazol-1-yl)methyl)-2-(3-(2-oxoazepan-3-y...)
Show SMILES O=C1NCCCCC1c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1
Show InChI InChI=1S/C23H22N4O2/c24-14-19-8-7-17(15-27-11-10-25-16-27)12-22(19)29-20-5-3-4-18(13-20)21-6-1-2-9-26-23(21)28/h3-5,7-8,10-13,16,21H,1-2,6,9,15H2,(H,26,28)
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n/an/a 1.20E+3n/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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50130379
PNG
(2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...)
Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)C(=O)c2cncn2C)c1
Show InChI InChI=1S/C27H28N4O3/c1-4-27(12-5-6-13-30(2)26(27)33)21-8-7-9-22(15-21)34-24-14-19(10-11-20(24)16-28)25(32)23-17-29-18-31(23)3/h7-11,14-15,17-18H,4-6,12-13H2,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


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))
BDBM50130379
PNG
(2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...)
Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)C(=O)c2cncn2C)c1
Show InChI InChI=1S/C27H28N4O3/c1-4-27(12-5-6-13-30(2)26(27)33)21-8-7-9-22(15-21)34-24-14-19(10-11-20(24)16-28)25(32)23-17-29-18-31(23)3/h7-11,14-15,17-18H,4-6,12-13H2,1-3H3
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n/an/a 1.00E+4n/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))
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)
Protein farnesyltransferase subunit beta/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/an/an/a 11n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hDJ2 protein farnesylation


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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(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 26n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hDJ2 protein farnesylation


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
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