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Compile Data Set for Download or QSAR

Found 99 hits of ic50 for UniProtKB: Q8K2I1   
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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Anchorage-independent growth of transformed NIH3T3 cells in soft agar


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 5.20n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Anchorage-independent growth of transformed NIH3T3 cells in soft agar


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50097814
PNG
((S)-2-[(5-{[(1H-Imidazol-4-ylmethyl)-amino]-methyl...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C
Show InChI InChI=1S/C25H30N4O3S/c1-17-6-4-5-7-20(17)22-12-18(13-26-14-19-15-27-16-28-19)8-9-21(22)24(30)29-23(10-11-33-3)25(31)32-2/h4-9,12,15-16,23,26H,10-11,13-14H2,1-3H3,(H,27,28)(H,29,30)/t23-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of mammalian H-Ras processing in NIH 3T3 cells


Bioorg Med Chem Lett 11: 761-4 (2001)


BindingDB Entry DOI: 10.7270/Q26W99CH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50079787
PNG
(CHEMBL303859 | methyl 2-[1-[5-amino-2-isopropyl-6-...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1C[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1
Show InChI InChI=1S/C26H41N3O4S2/c1-18(2)19(10-11-20(27)17-34)15-29-16-22(33-21-8-6-5-7-9-21)14-24(29)25(30)28-23(12-13-35-4)26(31)32-3/h5-11,18-20,22-24,34H,12-17,27H2,1-4H3,(H,28,30)/b11-10+/t19-,20+,22-,23-,24-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327974
PNG
(CHEMBL1258797 | N-Benzyl,N-{2-[(4-Cyanophenyl)-(3-...)
Show SMILES CCCS(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C24H29N5O2S/c1-3-15-32(30,31)29(18-22-7-5-4-6-8-22)14-13-28(19-24-17-26-20-27(24)2)23-11-9-21(16-25)10-12-23/h4-12,17,20H,3,13-15,18-19H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327998
PNG
(CHEMBL1258350 | N-(2-((4-cyano-2-fluorophenyl)((1-...)
Show SMILES Cn1cncc1CN(CCN(CC1CCCCC1)S(=O)(=O)c1ccccn1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C26H31FN6O2S/c1-31-20-29-17-23(31)19-32(25-11-10-22(16-28)15-24(25)27)13-14-33(18-21-7-3-2-4-8-21)36(34,35)26-9-5-6-12-30-26/h5-6,9-12,15,17,20-21H,2-4,7-8,13-14,18-19H2,1H3
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n/an/a 89n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327976
PNG
(CHEMBL215476 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccn1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H26N6O2S/c1-30-21-28-18-25(30)20-31(24-12-10-22(17-27)11-13-24)15-16-32(19-23-7-3-2-4-8-23)35(33,34)26-9-5-6-14-29-26/h2-14,18,21H,15-16,19-20H2,1H3
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n/an/a 90n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50065394
PNG
((S)-2-(2-{[(S)-2-((R)-2-Amino-3-mercapto-propylami...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1ccccc1)NC[C@@H](N)CS
Show InChI InChI=1S/C24H42N4O3S2/c1-5-18(2)22(26-13-20(25)17-32)15-28(14-19-9-7-6-8-10-19)16-23(29)27-21(11-12-33-4)24(30)31-3/h6-10,18,20-22,26,32H,5,11-17,25H2,1-4H3,(H,27,29)/t18?,20-,21+,22-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of post-translational processing of v-Ras protein in NIH3T3 cells


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM13315
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCCCC1
Show InChI InChI=1S/C25H33N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h8-11,15,18-20,22H,3-7,12-13,16-17H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM16182
PNG
((2S)-2-[(4-{[(1H-imidazol-4-ylmethyl)amino]methyl}...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O |r|
Show InChI InChI=1S/C24H28N4O3S/c1-16-5-3-4-6-19(16)21-11-17(12-25-13-18-14-26-15-27-18)7-8-20(21)23(29)28-22(24(30)31)9-10-32-2/h3-8,11,14-15,22,25H,9-10,12-13H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t22-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of mammalian H-Ras processing in NIH 3T3 cells


Bioorg Med Chem Lett 11: 761-4 (2001)


BindingDB Entry DOI: 10.7270/Q26W99CH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327997
PNG
(CHEMBL1258232 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cn1cncc1CN(CCN(CC1CCCCC1)S(=O)(=O)c1ccccn1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H32N6O2S/c1-30-21-28-18-25(30)20-31(24-12-10-22(17-27)11-13-24)15-16-32(19-23-7-3-2-4-8-23)35(33,34)26-9-5-6-14-29-26/h5-6,9-14,18,21,23H,2-4,7-8,15-16,19-20H2,1H3
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n/an/a 268n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327999
PNG
(CHEMBL1258351 | N-(2-((5-cyanopyridin-2-yl)((1-met...)
Show SMILES Cn1cncc1CN(CCN(CC1CCCCC1)S(=O)(=O)c1ccccn1)c1ccc(cn1)C#N
Show InChI InChI=1S/C25H31N7O2S/c1-30-20-27-17-23(30)19-31(24-11-10-22(15-26)16-29-24)13-14-32(18-21-7-3-2-4-8-21)35(33,34)25-9-5-6-12-28-25/h5-6,9-12,16-17,20-21H,2-4,7-8,13-14,18-19H2,1H3
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n/an/a 288n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM13313
PNG
(N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O2S/c1-30-22-29-19-26(30)21-31(25-14-12-23(18-28)13-15-25)16-17-32(20-24-8-4-2-5-9-24)35(33,34)27-10-6-3-7-11-27/h2-15,19,22H,16-17,20-21H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327990
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cc1cccc(CN(CCN(Cc2cncn2C)c2ccc(cc2)C#N)S(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C26H29N7O2S/c1-21-5-4-6-23(13-21)16-33(36(34,35)26-18-30(2)20-29-26)12-11-32(17-25-15-28-19-31(25)3)24-9-7-22(14-27)8-10-24/h4-10,13,15,18-20H,11-12,16-17H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50079805
PNG
(CHEMBL302834 | methyl 2-[1-[5-amino-6-sulfanyl-(5R...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1CCCC[C@@H](N)CS)Oc1ccccc1
Show InChI InChI=1S/C23H37N3O4S2/c1-29-23(28)20(11-13-32-2)25-22(27)21-14-19(30-18-9-4-3-5-10-18)15-26(21)12-7-6-8-17(24)16-31/h3-5,9-10,17,19-21,31H,6-8,11-16,24H2,1-2H3,(H,25,27)/t17-,19+,20+,21+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50059858
PNG
((S)-2-((3Z,6E)-(2S,5S,8R)-8-Amino-2-benzyl-5-isopr...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)\C=C/[C@@H](\C=C\[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H36N2O3S2/c1-17(2)19(11-12-21(25)16-30)9-10-20(15-18-7-5-4-6-8-18)23(27)26-22(24(28)29)13-14-31-3/h4-12,17,19-22,30H,13-16,25H2,1-3H3,(H,26,27)(H,28,29)/b10-9-,12-11+/t19-,20+,21+,22-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327985
PNG
(CHEMBL452319 | N-(2-((4-cyanophenyl)((1-methyl-1H-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccsc1
Show InChI InChI=1S/C23H25N7O2S2/c1-27-15-23(26-18-27)34(31,32)30(13-20-7-10-33-16-20)9-8-29(14-22-12-25-17-28(22)2)21-5-3-19(11-24)4-6-21/h3-7,10,12,15-18H,8-9,13-14H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327987
PNG
(CHEMBL1257889 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1cccs1
Show InChI InChI=1S/C23H25N7O2S2/c1-27-16-23(26-18-27)34(31,32)30(15-22-4-3-11-33-22)10-9-29(14-21-13-25-17-28(21)2)20-7-5-19(12-24)6-8-20/h3-8,11,13,16-18H,9-10,14-15H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50059876
PNG
(CHEMBL217423 | [(S)-1-[(S)-1-{(S)-2-Benzyloxy-1-[(...)
Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H57N9O9/c1-35(49(55)64)59-50(65)46(26-40-28-57-44-20-12-11-19-43(40)44)61-53(68)48(33-70-30-37-13-5-2-6-14-37)62-51(66)45(25-36-21-23-42(24-22-36)71-31-38-15-7-3-8-16-38)60-52(67)47(27-41-29-56-34-58-41)63-54(69)72-32-39-17-9-4-10-18-39/h2-24,28-29,34-35,45-48,57H,25-27,30-33H2,1H3,(H2,55,64)(H,56,58)(H,59,65)(H,60,67)(H,61,68)(H,62,66)(H,63,69)/t35-,45+,46+,47+,48+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Ras-processing in H-Ras transformed NIH3T3 fibroblasts


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50079785
PNG
(CHEMBL433102 | methyl 2-[1-[5-amino-6-sulfanyl-(E,...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1CC\C=C\[C@@H](N)CS)Oc1ccccc1
Show InChI InChI=1S/C23H35N3O4S2/c1-29-23(28)20(11-13-32-2)25-22(27)21-14-19(30-18-9-4-3-5-10-18)15-26(21)12-7-6-8-17(24)16-31/h3-6,8-10,17,19-21,31H,7,11-16,24H2,1-2H3,(H,25,27)/b8-6+/t17-,19+,20+,21+/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327975
PNG
(CHEMBL215475 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccs1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N5O2S2/c1-28-20-27-17-24(28)19-29(23-11-9-21(16-26)10-12-23)13-14-30(18-22-6-3-2-4-7-22)34(31,32)25-8-5-15-33-25/h2-12,15,17,20H,13-14,18-19H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50369376
PNG
(CHEMBL1790751)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC[C@@H](N)CS
Show InChI InChI=1S/C28H44N4O3S2/c1-5-20(2)26(30-15-23(29)19-36)17-32(16-22-11-8-10-21-9-6-7-12-24(21)22)18-27(33)31-25(13-14-37-4)28(34)35-3/h6-12,20,23,25-26,30,36H,5,13-19,29H2,1-4H3,(H,31,33)/t20-,23-,25+,26-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of post-translational processing of v-Ras protein in NIH3T3 cells


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50059846
PNG
(CHEMBL103575 | L-745631 | [(R)-4-((S)-2-Amino-3-me...)
Show SMILES COCC[C@@H]1CN(CCN1C[C@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H29N3O2S/c1-26-12-9-18-14-24(11-10-23(18)13-17(22)15-27)21(25)20-8-4-6-16-5-2-3-7-19(16)20/h2-8,17-18,27H,9-15,22H2,1H3/t17-,18+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Ras processing


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327977
PNG
(CHEMBL379511 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H28N6O2S/c1-34-23-32-20-28(34)22-35(27-14-12-24(19-31)13-15-27)17-18-36(21-25-7-3-2-4-8-25)39(37,38)29-11-5-9-26-10-6-16-33-30(26)29/h2-16,20,23H,17-18,21-22H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327984
PNG
(CHEMBL1257647 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccoc1
Show InChI InChI=1S/C23H25N7O3S/c1-27-15-23(26-18-27)34(31,32)30(13-20-7-10-33-16-20)9-8-29(14-22-12-25-17-28(22)2)21-5-3-19(11-24)4-6-21/h3-7,10,12,15-18H,8-9,13-14H2,1-2H3
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n/an/a 650n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327986
PNG
(CHEMBL1257770 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccco1
Show InChI InChI=1S/C23H25N7O3S/c1-27-16-23(26-18-27)34(31,32)30(15-22-4-3-11-33-22)10-9-29(14-21-13-25-17-28(21)2)20-7-5-19(12-24)6-8-20/h3-8,11,13,16-18H,9-10,14-15H2,1-2H3
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n/an/a 800n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50079790
PNG
((S)-2-{[(2S,4S)-1-((E)-(2S,5R)-5-Amino-2-isopropyl...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1
Show InChI InChI=1S/C26H39N3O5S2/c1-17(2)21(11-10-18(27)16-35)25(31)29-15-20(34-19-8-6-5-7-9-19)14-23(29)24(30)28-22(12-13-36-4)26(32)33-3/h5-11,17-18,20-23,35H,12-16,27H2,1-4H3,(H,28,30)/b11-10+/t18-,20+,21-,22+,23+/m1/s1
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n/an/a 840n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50067584
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of mammalian H-Ras processing in NIH 3T3 cells


Bioorg Med Chem Lett 11: 761-4 (2001)


BindingDB Entry DOI: 10.7270/Q26W99CH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM13311
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...)
Show SMILES Cc1ccccc1CN(CCN(Cc1cncn1C)c1ccc(cc1)C#N)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C26H29N7O2S/c1-21-6-4-5-7-23(21)16-33(36(34,35)26-18-30(2)20-29-26)13-12-32(17-25-15-28-19-31(25)3)24-10-8-22(14-27)9-11-24/h4-11,15,18-20H,12-13,16-17H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM13314
PNG
(5-Dimethylaminonaphthalene-1-sulfonic Acid Benzyl-...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C33H34N6O2S/c1-36(2)32-13-7-12-31-30(32)11-8-14-33(31)42(40,41)39(23-27-9-5-4-6-10-27)20-19-38(24-29-22-35-25-37(29)3)28-17-15-26(21-34)16-18-28/h4-18,22,25H,19-20,23-24H2,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM13308
PNG
(N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C24H27BrN6O2S/c1-28-17-24(27-19-28)34(32,33)31(15-20-6-4-3-5-7-20)13-12-30(16-23-14-26-18-29(23)2)22-10-8-21(25)9-11-22/h3-11,14,17-19H,12-13,15-16H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM13307
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C25H27N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h3-11,15,18-20H,12-13,16-17H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50079800
PNG
(CHEMBL303363 | methyl 2-[1-[5-amino-6-sulfanyl-(5R...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1C(=O)CCC[C@@H](N)CS)Oc1ccccc1
Show InChI InChI=1S/C23H35N3O5S2/c1-30-23(29)19(11-12-33-2)25-22(28)20-13-18(31-17-8-4-3-5-9-17)14-26(20)21(27)10-6-7-16(24)15-32/h3-5,8-9,16,18-20,32H,6-7,10-15,24H2,1-2H3,(H,25,28)/t16-,18+,19+,20+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM31423
PNG
(ethylenediamine scaffold, 4)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C29H40N8O4S/c1-29(2,3)41-28(38)35-12-10-24(11-13-35)18-37(42(39,40)27-20-33(4)22-32-27)15-14-36(19-26-17-31-21-34(26)5)25-8-6-23(16-30)7-9-25/h6-9,17,20-22,24H,10-15,18-19H2,1-5H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327991
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cc1ccc(CN(CCN(Cc2cncn2C)c2ccc(cc2)C#N)S(=O)(=O)c2cn(C)cn2)cc1
Show InChI InChI=1S/C26H29N7O2S/c1-21-4-6-23(7-5-21)16-33(36(34,35)26-18-30(2)20-29-26)13-12-32(17-25-15-28-19-31(25)3)24-10-8-22(14-27)9-11-24/h4-11,15,18-20H,12-13,16-17H2,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327993
PNG
(1-methyl-1H-imidazole-4-sulfonic acid biphenyl-3-y...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C31H31N7O2S/c1-35-22-31(34-24-35)41(39,40)38(20-26-7-6-10-28(17-26)27-8-4-3-5-9-27)16-15-37(21-30-19-33-23-36(30)2)29-13-11-25(18-32)12-14-29/h3-14,17,19,22-24H,15-16,20-21H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50079802
PNG
(CHEMBL302025 | methyl 2-[1-[4-amino-5-sulfanyl-(E,...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccc(cc1)C(C)C
Show InChI InChI=1S/C25H39N3O4S2/c1-17(2)18-7-9-20(10-8-18)32-21-14-23(28(15-21)12-5-6-19(26)16-33)24(29)27-22(11-13-34-4)25(30)31-3/h5-10,17,19,21-23,33H,11-16,26H2,1-4H3,(H,27,29)/b6-5+/t19-,21+,22+,23+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50079791
PNG
(CHEMBL304823 | methyl 2-[1-[4-amino-5-sulfanyl-(E,...)
Show SMILES CCCCc1ccc(O[C@H]2C[C@H](N(C\C=C\[C@@H](N)CS)C2)C(=O)N[C@@H](CCSC)C(=O)OC)cc1
Show InChI InChI=1S/C26H41N3O4S2/c1-4-5-7-19-9-11-21(12-10-19)33-22-16-24(29(17-22)14-6-8-20(27)18-34)25(30)28-23(13-15-35-3)26(31)32-2/h6,8-12,20,22-24,34H,4-5,7,13-18,27H2,1-3H3,(H,28,30)/b8-6+/t20-,22+,23+,24+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50079797
PNG
(CHEMBL66788 | methyl 2-[1-[4-amino-5-sulfanyl-(E,4...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H37N3O4S2/c1-34-28(33)25(14-16-37-2)30-27(32)26-17-24(18-31(26)15-6-9-22(29)19-36)35-23-12-10-21(11-13-23)20-7-4-3-5-8-20/h3-13,22,24-26,36H,14-19,29H2,1-2H3,(H,30,32)/b9-6+/t22-,24+,25+,26+/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327994
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccc(cc1)-n1cccc1
Show InChI InChI=1S/C29H30N8O2S/c1-33-21-29(32-23-33)40(38,39)37(19-25-7-11-26(12-8-25)35-13-3-4-14-35)16-15-36(20-28-18-31-22-34(28)2)27-9-5-24(17-30)6-10-27/h3-14,18,21-23H,15-16,19-20H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327983
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CCn1cccc1
Show InChI InChI=1S/C24H28N8O2S/c1-28-18-24(27-20-28)35(33,34)32(13-11-30-9-3-4-10-30)14-12-31(17-23-16-26-19-29(23)2)22-7-5-21(15-25)6-8-22/h3-10,16,18-20H,11-14,17H2,1-2H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM13316
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid Biphenyl-4-y...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H31N7O2S/c1-35-22-31(34-24-35)41(39,40)38(20-26-8-12-28(13-9-26)27-6-4-3-5-7-27)17-16-37(21-30-19-33-23-36(30)2)29-14-10-25(18-32)11-15-29/h3-15,19,22-24H,16-17,20-21H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327992
PNG
(1-methyl-1H-imidazole-4-sulfonic acid (3-cyanobenz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H26N8O2S/c1-31-18-26(30-20-31)37(35,36)34(16-23-5-3-4-22(12-23)14-28)11-10-33(17-25-15-29-19-32(25)2)24-8-6-21(13-27)7-9-24/h3-9,12,15,18-20H,10-11,16-17H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50097809
PNG
((S)-2-[(5-{[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmet...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccc(cc2)C#N)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C30H29N5O3S/c1-39-14-13-28(30(37)38)34-29(36)26-12-11-24(15-27(26)23-5-3-2-4-6-23)33-18-25-17-32-20-35(25)19-22-9-7-21(16-31)8-10-22/h2-12,15,17,20,28,33H,13-14,18-19H2,1H3,(H,34,36)(H,37,38)/t28-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of mammalian H-Ras processing in NIH 3T3 cells


Bioorg Med Chem Lett 11: 761-4 (2001)


BindingDB Entry DOI: 10.7270/Q26W99CH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50403712
PNG
(CHEMBL2092732)
Show SMILES COC(=O)[C@@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccccc1
Show InChI InChI=1S/C22H33N3O4S2/c1-28-22(27)19(10-12-31-2)24-21(26)20-13-18(29-17-8-4-3-5-9-17)14-25(20)11-6-7-16(23)15-30/h3-9,16,18-20,30H,10-15,23H2,1-2H3,(H,24,26)/b7-6+/t16-,18+,19-,20+/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327973
PNG
(1-methyl-1H-imidazole-4-sulfonic acid benzyl-{2-[(...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cnc[nH]1)c1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C23H25BrN6O2S/c1-28-16-23(27-18-28)33(31,32)30(14-19-5-3-2-4-6-19)12-11-29(15-21-13-25-17-26-21)22-9-7-20(24)8-10-22/h2-10,13,16-18H,11-12,14-15H2,1H3,(H,25,26)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327981
PNG
(1-methyl-1H-imidazole-4-sulfonic acid (2-bromoally...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC(Br)=C
Show InChI InChI=1S/C21H24BrN7O2S/c1-17(22)12-29(32(30,31)21-14-26(2)16-25-21)9-8-28(13-20-11-24-15-27(20)3)19-6-4-18(10-23)5-7-19/h4-7,11,14-16H,1,8-9,12-13H2,2-3H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327978
PNG
(CHEMBL1257299 | N-(2-((4-cyanophenyl)((1-methyl-1H...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC#C
Show InChI InChI=1S/C21H23N7O2S/c1-4-9-28(31(29,30)21-15-25(2)17-24-21)11-10-27(14-20-13-23-16-26(20)3)19-7-5-18(12-22)6-8-19/h1,5-8,13,15-17H,9-11,14H2,2-3H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50366604
PNG
(CHEMBL1793800 | CHEMBL3349311)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@](N)(CS)\C=C\CN1C[C@]([H])(C[C@]1([H])C(=O)N[C@]([H])(CCSC)C(=O)OC)Oc1ccccc1CCC
Show InChI InChI=1S/C25H39N3O4S2/c1-4-8-18-9-5-6-11-23(18)32-20-15-22(28(16-20)13-7-10-19(26)17-33)24(29)27-21(12-14-34-3)25(30)31-2/h5-7,9-11,19-22,33H,4,8,12-17,26H2,1-3H3,(H,27,29)/t19-,20+,21-,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327979
PNG
(1-methyl-1H-imidazole-4-sulfonic acid allyl-{2-[(4...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC=C
Show InChI InChI=1S/C21H25N7O2S/c1-4-9-28(31(29,30)21-15-25(2)17-24-21)11-10-27(14-20-13-23-16-26(20)3)19-7-5-18(12-22)6-8-19/h4-8,13,15-17H,1,9-11,14H2,2-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
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