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PubMed code 10464022

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079974
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-naphthalen-1-ylmet...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1cccc2ccccc12
Show InChI InChI=1S/C40H47N5O4S/c1-4-28(2)37(43-38(46)21-33-22-41-27-45(33)24-32-16-10-14-30-12-6-8-18-35(30)32)25-44(26-39(47)42-36(40(48)49)19-20-50-3)23-31-15-9-13-29-11-5-7-17-34(29)31/h5-18,22,27-28,36-37H,4,19-21,23-26H2,1-3H3,(H,42,47)(H,43,46)(H,48,49)/t28?,36-,37+/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
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079961
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-naphthalen-2-ylmet...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C40H47N5O4S/c1-4-28(2)37(43-38(46)21-34-22-41-27-45(34)23-29-16-17-30-10-5-6-12-32(30)20-29)25-44(26-39(47)42-36(40(48)49)18-19-50-3)24-33-14-9-13-31-11-7-8-15-35(31)33/h5-17,20,22,27-28,36-37H,4,18-19,21,23-26H2,1-3H3,(H,42,47)(H,43,46)(H,48,49)/t28?,36-,37+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079956
PNG
((S)-2-[2-({(S)-2-[2-(3-Benzyl-3H-imidazol-4-yl)-ac...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccccc1
Show InChI InChI=1S/C36H45N5O4S/c1-4-26(2)33(39-34(42)19-30-20-37-25-41(30)21-27-11-6-5-7-12-27)23-40(24-35(43)38-32(36(44)45)17-18-46-3)22-29-15-10-14-28-13-8-9-16-31(28)29/h5-16,20,25-26,32-33H,4,17-19,21-24H2,1-3H3,(H,38,43)(H,39,42)(H,44,45)/t26?,32-,33+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50369443
PNG
(CHEMBL252953)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C37H44N6O4S/c1-4-26(2)34(41-35(44)18-31-20-39-25-43(31)21-28-14-12-27(19-38)13-15-28)23-42(24-36(45)40-33(37(46)47)16-17-48-3)22-30-10-7-9-29-8-5-6-11-32(29)30/h5-15,20,25-26,33-34H,4,16-18,21-24H2,1-3H3,(H,40,45)(H,41,44)(H,46,47)/t26-,33+,34-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079966
PNG
((S)-2-{2-[((S)-3-Methyl-2-{2-[3-(4-nitro-benzyl)-3...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C36H44N6O6S/c1-4-25(2)33(39-34(43)18-30-19-37-24-41(30)20-26-12-14-29(15-13-26)42(47)48)22-40(23-35(44)38-32(36(45)46)16-17-49-3)21-28-10-7-9-27-8-5-6-11-31(27)28/h5-15,19,24-25,32-33H,4,16-18,20-23H2,1-3H3,(H,38,44)(H,39,43)(H,45,46)/t25?,32-,33+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079978
PNG
((S)-2-{2-[((S)-2-{2-[3-((E)-3,7-Dimethyl-octa-2,6-...)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)-[#6]-c1cccc2ccccc12)-[#7]-[#6](=O)-[#6]-c1cncn1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C39H55N5O4S/c1-7-30(5)36(42-37(45)22-33-23-40-27-44(33)20-18-29(4)13-10-12-28(2)3)25-43(26-38(46)41-35(39(47)48)19-21-49-6)24-32-16-11-15-31-14-8-9-17-34(31)32/h8-9,11-12,14-18,23,27,30,35-36H,7,10,13,19-22,24-26H2,1-6H3,(H,41,46)(H,42,45)(H,47,48)/b29-18+/t30?,35-,36+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079971
PNG
((S)-2-{2-[((S)-2-{2-[3-(4-Fluoro-benzyl)-3H-imidaz...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(F)cc1
Show InChI InChI=1S/C36H44FN5O4S/c1-4-25(2)33(40-34(43)18-30-19-38-24-42(30)20-26-12-14-29(37)15-13-26)22-41(23-35(44)39-32(36(45)46)16-17-47-3)21-28-10-7-9-27-8-5-6-11-31(27)28/h5-15,19,24-25,32-33H,4,16-18,20-23H2,1-3H3,(H,39,44)(H,40,43)(H,45,46)/t25?,32-,33+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079968
PNG
((S)-2-{2-[((S)-2-{2-[3-(4-Methoxy-benzyl)-3H-imida...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(OC)cc1
Show InChI InChI=1S/C37H47N5O5S/c1-5-26(2)34(40-35(43)19-30-20-38-25-42(30)21-27-13-15-31(47-3)16-14-27)23-41(24-36(44)39-33(37(45)46)17-18-48-4)22-29-11-8-10-28-9-6-7-12-32(28)29/h6-16,20,25-26,33-34H,5,17-19,21-24H2,1-4H3,(H,39,44)(H,40,43)(H,45,46)/t26?,33-,34+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079962
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-pyridin-4-ylmethyl...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccncc1
Show InChI InChI=1S/C35H44N6O4S/c1-4-25(2)32(39-33(42)18-29-19-37-24-41(29)20-26-12-15-36-16-13-26)22-40(23-34(43)38-31(35(44)45)14-17-46-3)21-28-10-7-9-27-8-5-6-11-30(27)28/h5-13,15-16,19,24-25,31-32H,4,14,17-18,20-23H2,1-3H3,(H,38,43)(H,39,42)(H,44,45)/t25?,31-,32+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079963
PNG
((S)-4-Methylsulfanyl-2-{2-[((S)-3-methyl-2-{2-[3-(...)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)-[#6]-c1cccc2ccccc12)-[#7]-[#6](=O)-[#6]-c1cncn1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C45H65N5O4S/c1-8-36(6)42(48-43(51)27-39-28-46-32-50(39)25-23-35(5)17-10-9-16-34(4)18-13-15-33(2)3)30-49(31-44(52)47-41(45(53)54)24-26-55-7)29-38-21-14-20-37-19-11-12-22-40(37)38/h11-12,14-16,19-23,28,32,36,41-42H,8-10,13,17-18,24-27,29-31H2,1-7H3,(H,47,52)(H,48,51)(H,53,54)/b34-16+,35-23+/t36?,41-,42+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079964
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-quinolin-2-ylmethy...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C39H46N6O4S/c1-4-27(2)36(43-37(46)20-32-21-40-26-45(32)23-31-17-16-29-11-6-8-15-34(29)41-31)24-44(25-38(47)42-35(39(48)49)18-19-50-3)22-30-13-9-12-28-10-5-7-14-33(28)30/h5-17,21,26-27,35-36H,4,18-20,22-25H2,1-3H3,(H,42,47)(H,43,46)(H,48,49)/t27?,35-,36+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079965
PNG
((S)-2-{2-[((S)-3-Methyl-2-{2-[1-(4-nitro-benzyl)-1...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cn(Cc2ccc(cc2)[N+]([O-])=O)cn1
Show InChI InChI=1S/C36H44N6O6S/c1-4-25(2)33(39-34(43)18-29-21-41(24-37-29)19-26-12-14-30(15-13-26)42(47)48)22-40(23-35(44)38-32(36(45)46)16-17-49-3)20-28-10-7-9-27-8-5-6-11-31(27)28/h5-15,21,24-25,32-33H,4,16-20,22-23H2,1-3H3,(H,38,44)(H,39,43)(H,45,46)/t25?,32-,33+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079975
PNG
((S)-2-{2-[((S)-2-{2-[3-(4-Cyano-benzyl)-3H-imidazo...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(N)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C37H45N7O3S/c1-4-26(2)34(42-35(45)18-31-20-40-25-44(31)21-28-14-12-27(19-38)13-15-28)23-43(24-36(46)41-33(37(39)47)16-17-48-3)22-30-10-7-9-29-8-5-6-11-32(29)30/h5-15,20,25-26,33-34H,4,16-18,21-24H2,1-3H3,(H2,39,47)(H,41,46)(H,42,45)/t26?,33-,34+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50369443
PNG
(CHEMBL252953)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C37H44N6O4S/c1-4-26(2)34(41-35(44)18-31-20-39-25-43(31)21-28-14-12-27(19-38)13-15-28)23-42(24-36(45)40-33(37(46)47)16-17-48-3)22-30-10-7-9-29-8-5-6-11-32(29)30/h5-15,20,25-26,33-34H,4,16-18,21-24H2,1-3H3,(H,40,45)(H,41,44)(H,46,47)/t26-,33+,34-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079976
PNG
((S)-2-(2-(((2S,3R)-3-methyl-2-(2-(1-(pyridin-4-ylm...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cn(Cc2ccncc2)cn1
Show InChI InChI=1S/C35H44N6O4S/c1-4-25(2)32(39-33(42)18-29-21-41(24-37-29)19-26-12-15-36-16-13-26)22-40(23-34(43)38-31(35(44)45)14-17-46-3)20-28-10-7-9-27-8-5-6-11-30(27)28/h5-13,15-16,21,24-25,31-32H,4,14,17-20,22-23H2,1-3H3,(H,38,43)(H,39,42)(H,44,45)/t25?,31-,32+/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50079979
PNG
((S)-2-[2-({(S)-2-[2-(1-Benzyl-1H-imidazol-4-yl)-ac...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cn(Cc2ccccc2)cn1
Show InChI InChI=1S/C36H45N5O4S/c1-4-26(2)33(39-34(42)19-30-22-41(25-37-30)20-27-11-6-5-7-12-27)23-40(24-35(43)38-32(36(44)45)17-18-46-3)21-29-15-10-14-28-13-8-9-16-31(28)29/h5-16,22,25-26,32-33H,4,17-21,23-24H2,1-3H3,(H,38,43)(H,39,42)(H,44,45)/t26?,32-,33+/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50079966
PNG
((S)-2-{2-[((S)-3-Methyl-2-{2-[3-(4-nitro-benzyl)-3...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C36H44N6O6S/c1-4-25(2)33(39-34(43)18-30-19-37-24-41(30)20-26-12-14-29(15-13-26)42(47)48)22-40(23-35(44)38-32(36(45)46)16-17-49-3)21-28-10-7-9-27-8-5-6-11-31(27)28/h5-15,19,24-25,32-33H,4,16-18,20-23H2,1-3H3,(H,38,44)(H,39,43)(H,45,46)/t25?,32-,33+/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50079968
PNG
((S)-2-{2-[((S)-2-{2-[3-(4-Methoxy-benzyl)-3H-imida...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(OC)cc1
Show InChI InChI=1S/C37H47N5O5S/c1-5-26(2)34(40-35(43)19-30-20-38-25-42(30)21-27-13-15-31(47-3)16-14-27)23-41(24-36(44)39-33(37(45)46)17-18-48-4)22-29-11-8-10-28-9-6-7-12-32(28)29/h6-16,20,25-26,33-34H,5,17-19,21-24H2,1-4H3,(H,39,44)(H,40,43)(H,45,46)/t26?,33-,34+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50079971
PNG
((S)-2-{2-[((S)-2-{2-[3-(4-Fluoro-benzyl)-3H-imidaz...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(F)cc1
Show InChI InChI=1S/C36H44FN5O4S/c1-4-25(2)33(40-34(43)18-30-19-38-24-42(30)20-26-12-14-29(37)15-13-26)22-41(23-35(44)39-32(36(45)46)16-17-47-3)21-28-10-7-9-27-8-5-6-11-31(27)28/h5-15,19,24-25,32-33H,4,16-18,20-23H2,1-3H3,(H,39,44)(H,40,43)(H,45,46)/t25?,32-,33+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50079956
PNG
((S)-2-[2-({(S)-2-[2-(3-Benzyl-3H-imidazol-4-yl)-ac...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccccc1
Show InChI InChI=1S/C36H45N5O4S/c1-4-26(2)33(39-34(42)19-30-20-37-25-41(30)21-27-11-6-5-7-12-27)23-40(24-35(43)38-32(36(44)45)17-18-46-3)22-29-15-10-14-28-13-8-9-16-31(28)29/h5-16,20,25-26,32-33H,4,17-19,21-24H2,1-3H3,(H,38,43)(H,39,42)(H,44,45)/t26?,32-,33+/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50079961
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-naphthalen-2-ylmet...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C40H47N5O4S/c1-4-28(2)37(43-38(46)21-34-22-41-27-45(34)23-29-16-17-30-10-5-6-12-32(30)20-29)25-44(26-39(47)42-36(40(48)49)18-19-50-3)24-33-14-9-13-31-11-7-8-15-35(31)33/h5-17,20,22,27-28,36-37H,4,18-19,21,23-26H2,1-3H3,(H,42,47)(H,43,46)(H,48,49)/t28?,36-,37+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50079963
PNG
((S)-4-Methylsulfanyl-2-{2-[((S)-3-methyl-2-{2-[3-(...)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)-[#6]-c1cccc2ccccc12)-[#7]-[#6](=O)-[#6]-c1cncn1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C45H65N5O4S/c1-8-36(6)42(48-43(51)27-39-28-46-32-50(39)25-23-35(5)17-10-9-16-34(4)18-13-15-33(2)3)30-49(31-44(52)47-41(45(53)54)24-26-55-7)29-38-21-14-20-37-19-11-12-22-40(37)38/h11-12,14-16,19-23,28,32,36,41-42H,8-10,13,17-18,24-27,29-31H2,1-7H3,(H,47,52)(H,48,51)(H,53,54)/b34-16+,35-23+/t36?,41-,42+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50079974
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-naphthalen-1-ylmet...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1cccc2ccccc12
Show InChI InChI=1S/C40H47N5O4S/c1-4-28(2)37(43-38(46)21-33-22-41-27-45(33)24-32-16-10-14-30-12-6-8-18-35(30)32)25-44(26-39(47)42-36(40(48)49)19-20-50-3)23-31-15-9-13-29-11-5-7-17-34(29)31/h5-18,22,27-28,36-37H,4,19-21,23-26H2,1-3H3,(H,42,47)(H,43,46)(H,48,49)/t28?,36-,37+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50079978
PNG
((S)-2-{2-[((S)-2-{2-[3-((E)-3,7-Dimethyl-octa-2,6-...)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)-[#6]-c1cccc2ccccc12)-[#7]-[#6](=O)-[#6]-c1cncn1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C39H55N5O4S/c1-7-30(5)36(42-37(45)22-33-23-40-27-44(33)20-18-29(4)13-10-12-28(2)3)25-43(26-38(46)41-35(39(47)48)19-21-49-6)24-32-16-11-15-31-14-8-9-17-34(31)32/h8-9,11-12,14-18,23,27,30,35-36H,7,10,13,19-22,24-26H2,1-6H3,(H,41,46)(H,42,45)(H,47,48)/b29-18+/t30?,35-,36+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50079964
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-quinolin-2-ylmethy...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C39H46N6O4S/c1-4-27(2)36(43-37(46)20-32-21-40-26-45(32)23-31-17-16-29-11-6-8-15-34(29)41-31)24-44(25-38(47)42-35(39(48)49)18-19-50-3)22-30-13-9-12-28-10-5-7-14-33(28)30/h5-17,21,26-27,35-36H,4,18-20,22-25H2,1-3H3,(H,42,47)(H,43,46)(H,48,49)/t27?,35-,36+/m0/s1
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n/an/a 1.75E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%