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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50036677   
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))
BDBM50067848
PNG
((S)-2-(((3aR,6R,9S)-3a,6,9-trimethyl-3-(6-methylhe...)
Show SMILES CC(C)CCCC(C)C1CCC2C3[C@@H](C)CC(=O)[C@](C)(C[C@@H](CC(O)=O)C(O)=O)C3CC[C@]12C
Show InChI InChI=1S/C29H48O5/c1-17(2)8-7-9-18(3)21-10-11-22-26-19(4)14-24(30)29(6,23(26)12-13-28(21,22)5)16-20(27(33)34)15-25(31)32/h17-23,26H,7-16H2,1-6H3,(H,31,32)(H,33,34)/t18?,19-,20+,21?,22?,23?,26?,28+,29+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067843
PNG
((S)-2-[(3aR,6R)-3-(1,5-Dimethyl-hexyl)-3a,6-dimeth...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CCC(=O)[C@](C)(C[C@@H](CC(O)=O)C(O)=O)C3CC[C@]12C
Show InChI InChI=1S/C28H46O5/c1-17(2)7-6-8-18(3)21-10-11-22-20-9-12-24(29)28(5,23(20)13-14-27(21,22)4)16-19(26(32)33)15-25(30)31/h17-23H,6-16H2,1-5H3,(H,30,31)(H,32,33)/t18?,19-,20?,21?,22?,23?,27-,28-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50250718
PNG
(2-alpha-(3'-hydroxy-3'-methylglutaroyl)-24,25-dihy...)
Show SMILES C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)CC(C)(O)CC(O)=O)C(=O)C(C)(C)[C@@H]1CC3 |r,c:15|
Show InChI InChI=1S/C36H58O8/c1-21(10-13-27(37)32(4,5)42)22-14-16-36(9)24-11-12-26-31(2,3)30(41)25(44-29(40)20-33(6,43)19-28(38)39)18-34(26,7)23(24)15-17-35(22,36)8/h21-22,25-27,37,42-43H,10-20H2,1-9H3,(H,38,39)/t21-,22-,25-,26+,27?,33?,34-,35-,36+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase using Ras-CVLS


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067852
PNG
(3-[(3aR,6R,9S)-3-(1,5-Dimethyl-hexyl)-3a,6,9-trime...)
Show SMILES CC(C)CCCC(C)C1CCC2C3[C@@H](C)CC(=O)[C@](C)(CCC(O)=O)C3CC[C@]12C
Show InChI InChI=1S/C27H46O3/c1-17(2)8-7-9-18(3)20-10-11-21-25-19(4)16-23(28)27(6,15-13-24(29)30)22(25)12-14-26(20,21)5/h17-22,25H,7-16H2,1-6H3,(H,29,30)/t18?,19-,20?,21?,22?,25?,26+,27+/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067825
PNG
(3-[(R)-3-(1,5-Dimethyl-hexyl)-3a-methyl-7-oxo-dode...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CCC(=O)C(CCC(O)=O)C3CC[C@]12C
Show InChI InChI=1S/C25H42O3/c1-16(2)6-5-7-17(3)21-10-11-22-19-8-12-23(26)20(9-13-24(27)28)18(19)14-15-25(21,22)4/h16-22H,5-15H2,1-4H3,(H,27,28)/t17?,18?,19?,20?,21?,22?,25-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067842
PNG
(2'',15''-dimethyl-5'',17''-dioxo-(2''R,5'R,15''S)-...)
Show SMILES C[C@]12CC(=O)C3C(CCC4=CC(=O)C(C=O)=C[C@]34C)C1CC[C@@]21OCOC11COCO1 |c:15,t:9|
Show InChI InChI=1S/C24H28O7/c1-21-8-14(10-25)18(26)7-15(21)3-4-16-17-5-6-23(22(17,2)9-19(27)20(16)21)24(31-13-29-23)11-28-12-30-24/h7-8,10,16-17,20H,3-6,9,11-13H2,1-2H3/t16?,17?,20?,21-,22-,23+,24?/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50250718
PNG
(2-alpha-(3'-hydroxy-3'-methylglutaroyl)-24,25-dihy...)
Show SMILES C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)CC(C)(O)CC(O)=O)C(=O)C(C)(C)[C@@H]1CC3 |r,c:15|
Show InChI InChI=1S/C36H58O8/c1-21(10-13-27(37)32(4,5)42)22-14-16-36(9)24-11-12-26-31(2,3)30(41)25(44-29(40)20-33(6,43)19-28(38)39)18-34(26,7)23(24)15-17-35(22,36)8/h21-22,25-27,37,42-43H,10-20H2,1-9H3,(H,38,39)/t21-,22-,25-,26+,27?,33?,34-,35-,36+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase using Ras-CVIM


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067849
PNG
((S)-2-[(3aR,6R,9S)-3-(1,5-Dimethyl-hexyl)-9-ethyl-...)
Show SMILES CC[C@H]1CC(=O)[C@](C)(C[C@@H](CC(O)=O)C(O)=O)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C
Show InChI InChI=1S/C30H50O5/c1-7-20-15-25(31)30(6,17-21(28(34)35)16-26(32)33)24-13-14-29(5)22(11-12-23(29)27(20)24)19(4)10-8-9-18(2)3/h18-24,27H,7-17H2,1-6H3,(H,32,33)(H,34,35)/t19?,20-,21+,22?,23?,24?,27?,29+,30+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067854
PNG
(CHEMBL344638 | Isobutyric acid 2-((10R,13S)-10,13-...)
Show SMILES CC(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C |t:16|
Show InChI InChI=1S/C25H34O5/c1-14(2)23(29)30-13-21(28)19-8-7-18-17-6-5-15-11-16(26)9-10-24(15,3)22(17)20(27)12-25(18,19)4/h11,14,17-19,22H,5-10,12-13H2,1-4H3/t17?,18?,19?,22?,24-,25-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067834
PNG
((3aR,6R)-6-(2-Carboxy-ethyl)-3-(1,5-dimethyl-hexyl...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CC=C(C(O)=O)[C@](C)(CCC(O)=O)C3CC[C@]12C |t:14|
Show InChI InChI=1S/C27H44O4/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23(25(30)31)27(5,16-14-24(28)29)22(19)13-15-26(20,21)4/h10,17-22H,6-9,11-16H2,1-5H3,(H,28,29)(H,30,31)/t18?,19?,20?,21?,22?,26-,27-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067835
PNG
((10S,13R,14R)-17-(1,5-Dimethyl-hex-4-enyl)-4,4,10,...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6]1-[#6]-[#6]-3 |c:13|
Show InChI InChI=1S/C30H48O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25H,9,11-19H2,1-8H3/t21?,22?,25?,28-,29-,30+/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50455157
PNG
(Cortisone | Cortisone acetate | Cortone)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:26|
Show InChI InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067846
PNG
((2R,10S,13R,14R,17R)-17-((R)-4,5-Dihydroxy-1,5-dim...)
Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC(O)C(C)(C)O |r,c:6|
Show InChI InChI=1S/C30H50O4/c1-18(9-12-24(32)27(4,5)34)19-13-15-30(8)21-10-11-23-26(2,3)25(33)22(31)17-28(23,6)20(21)14-16-29(19,30)7/h18-19,22-24,31-32,34H,9-17H2,1-8H3/t18-,19-,22-,23+,24?,28-,29-,30+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase using Ras-CVLS


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067841
PNG
(CHEMBL138291 | Isobutyric acid 2-((10R,13S,17R)-17...)
Show SMILES CC(C)C(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C |t:17|
Show InChI InChI=1S/C25H34O6/c1-14(2)22(29)31-13-20(28)25(30)10-8-18-17-6-5-15-11-16(26)7-9-23(15,3)21(17)19(27)12-24(18,25)4/h11,14,17-18,21,30H,5-10,12-13H2,1-4H3/t17?,18?,21?,23-,24-,25-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067846
PNG
((2R,10S,13R,14R,17R)-17-((R)-4,5-Dihydroxy-1,5-dim...)
Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC(O)C(C)(C)O |r,c:6|
Show InChI InChI=1S/C30H50O4/c1-18(9-12-24(32)27(4,5)34)19-13-15-30(8)21-10-11-23-26(2,3)25(33)22(31)17-28(23,6)20(21)14-16-29(19,30)7/h18-19,22-24,31-32,34H,9-17H2,1-8H3/t18-,19-,22-,23+,24?,28-,29-,30+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067830
PNG
((3aR,6R,7R)-6-(2-Carboxy-ethyl)-3-(1,5-dimethyl-he...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CC[C@@H](C(O)=O)[C@](C)(CCC(O)=O)C3CC[C@]12C
Show InChI InChI=1S/C27H46O4/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23(25(30)31)27(5,16-14-24(28)29)22(19)13-15-26(20,21)4/h17-23H,6-16H2,1-5H3,(H,28,29)(H,30,31)/t18?,19?,20?,21?,22?,23-,26+,27+/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067831
PNG
(CHEMBL141951 | Succinic acid mono-[2-((10R,13S)-17...)
Show SMILES C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CCC2(O)C(=O)COC(=O)CCC(O)=O |t:9|
Show InChI InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-17,22,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16?,17?,22?,23-,24-,25?/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067851
PNG
(CHEMBL141267 | methyl 3-[3a,6-dimethyl-5,7-dioxo-(...)
Show SMILES COC(=O)CC[C@]1(C)C2C(CCC1=O)C1CC[C@@]3(OCOC33COCO3)[C@@]1(C)CC2=O
Show InChI InChI=1S/C23H32O8/c1-20(8-7-18(26)27-3)17(25)5-4-14-15-6-9-22(21(15,2)10-16(24)19(14)20)23(31-13-29-22)11-28-12-30-23/h14-15,19H,4-13H2,1-3H3/t14?,15?,19?,20-,21-,22+,23?/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067819
PNG
(3-[3a,6-dimethyl-5,7-dioxo-(3'R,3aS,6R)-dispiro[pe...)
Show SMILES C[C@]12CC(=O)C3C(CCC(=O)[C@]3(C)CCC(O)=O)C1CC[C@@]21OCOC11COCO1
Show InChI InChI=1S/C22H30O8/c1-19(7-6-17(25)26)16(24)4-3-13-14-5-8-21(20(14,2)9-15(23)18(13)19)22(30-12-28-21)10-27-11-29-22/h13-14,18H,3-12H2,1-2H3,(H,25,26)/t13?,14?,18?,19-,20-,21+,22?/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067847
PNG
(4-[(3aR,6R,9S)-6-(2-Carboxy-ethyl)-3a,6,9-trimethy...)
Show SMILES CC(CCC(O)=O)C1CCC2C3[C@@H](C)CC(=O)[C@](C)(CCC(O)=O)C3CC[C@]12C
Show InChI InChI=1S/C24H38O5/c1-14(5-8-20(26)27)16-6-7-17-22-15(2)13-19(25)24(4,12-10-21(28)29)18(22)9-11-23(16,17)3/h14-18,22H,5-13H2,1-4H3,(H,26,27)(H,28,29)/t14?,15-,16?,17?,18?,22?,23+,24+/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067821
PNG
(4''-(1,3-dioxolan-2-yl)-2'',15''-dimethyl-(2''R,5'...)
Show SMILES C[C@]12CC(=O)C3C(CCC4=CC(=O)C(=C[C@]34C)C3OCCO3)C1CC[C@@]21OCOC11COCO1 |c:13,t:9|
Show InChI InChI=1S/C26H32O8/c1-23-10-17(22-30-7-8-31-22)19(27)9-15(23)3-4-16-18-5-6-25(24(18,2)11-20(28)21(16)23)26(34-14-32-25)12-29-13-33-26/h9-10,16,18,21-22H,3-8,11-14H2,1-2H3/t16?,18?,21?,23-,24-,25+,26?/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067827
PNG
((S)-2-[(3aR,6R,9S)-3-(1,5-Dimethyl-hexyl)-9-ethyl-...)
Show SMILES CCOC(=O)C[C@H](C[C@]1(C)C2CC[C@]3(C)C(CCC3C2[C@@H](CC)CC1=O)C(C)CCCC(C)C)C(O)=O
Show InChI InChI=1S/C32H54O5/c1-8-22-17-27(33)32(7,19-23(30(35)36)18-28(34)37-9-2)26-15-16-31(6)24(13-14-25(31)29(22)26)21(5)12-10-11-20(3)4/h20-26,29H,8-19H2,1-7H3,(H,35,36)/t21?,22-,23+,24?,25?,26?,29?,31+,32+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067823
PNG
(CHEMBL138048 | Isobutyric acid 2-[(3aS,6R)-6-(2-ca...)
Show SMILES CC(C)C(=O)OCC(=O)C1CCC2C3CCC(=O)[C@](C)(CCC(O)=O)C3C(=O)C[C@]12C
Show InChI InChI=1S/C24H34O7/c1-13(2)22(30)31-12-18(26)16-7-6-15-14-5-8-19(27)23(3,10-9-20(28)29)21(14)17(25)11-24(15,16)4/h13-16,21H,5-12H2,1-4H3,(H,28,29)/t14?,15?,16?,21?,23-,24-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067826
PNG
(3-[(3aR,6R)-3-(1,5-Dimethyl-hexyl)-3a,6-dimethyl-7...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CCC(=O)[C@](C)(CCC(O)=O)C3CC[C@]12C
Show InChI InChI=1S/C26H44O3/c1-17(2)7-6-8-18(3)20-10-11-21-19-9-12-23(27)26(5,16-14-24(28)29)22(19)13-15-25(20,21)4/h17-22H,6-16H2,1-5H3,(H,28,29)/t18?,19?,20?,21?,22?,25-,26-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067844
PNG
(2-((10S,13S,17R)-17-hydroxy-10,13,16-trimethyl-3-o...)
Show SMILES CC1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O |c:11,17,t:7|
Show InChI InChI=1S/C24H30O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h7-9,12,14,18,20,28H,5-6,10-11,13H2,1-4H3/t14?,18?,20?,22-,23-,24-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067818
PNG
(3,3-Dimethyl-pentanedioic acid mono-[2-((9R,10S,11...)
Show SMILES CC(C)(CC(O)=O)CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:22|
Show InChI InChI=1S/C28H39FO8/c1-24(2,13-22(33)34)14-23(35)37-15-21(32)27(36)10-8-18-19-6-5-16-11-17(30)7-9-25(16,3)28(19,29)20(31)12-26(18,27)4/h11,18-20,31,36H,5-10,12-15H2,1-4H3,(H,33,34)/t18?,19?,20-,25-,26-,27-,28-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067828
PNG
(3-Carboxy-pentanedioic acid mono-[2-((10R,13S,17R)...)
Show SMILES C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CC(CC(O)=O)C(O)=O |t:9|
Show InChI InChI=1S/C27H34O10/c1-25-7-5-16(28)11-15(25)3-4-17-18-6-8-27(36,26(18,2)12-19(29)23(17)25)20(30)13-37-22(33)10-14(24(34)35)9-21(31)32/h11,14,17-18,23,36H,3-10,12-13H2,1-2H3,(H,31,32)(H,34,35)/t14?,17?,18?,23?,25-,26-,27-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067853
PNG
(2-Ethyl-butyric acid 2-((10R,13S,17R)-17-hydroxy-1...)
Show SMILES CCC(CC)C(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C |t:19|
Show InChI InChI=1S/C27H38O6/c1-5-16(6-2)24(31)33-15-22(30)27(32)12-10-20-19-8-7-17-13-18(28)9-11-25(17,3)23(19)21(29)14-26(20,27)4/h13,16,19-20,23,32H,5-12,14-15H2,1-4H3/t19?,20?,23?,25-,26-,27-/m0/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067820
PNG
(3-[(3aR,6R,9S)-3-(1,5-Dimethyl-hexyl)-9-ethyl-3a,6...)
Show SMILES CC[C@H]1CC(=O)[C@](C)(CCC(O)=O)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C
Show InChI InChI=1S/C28H48O3/c1-7-20-17-24(29)28(6,16-14-25(30)31)23-13-15-27(5)21(11-12-22(27)26(20)23)19(4)10-8-9-18(2)3/h18-23,26H,7-17H2,1-6H3,(H,30,31)/t19?,20-,21?,22?,23?,26?,27+,28+/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067838
PNG
(2'',13'',15''-trimethyl-(2''R,5'R,13''S,15''S)-dis...)
Show SMILES C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(=O)C[C@]2(C)[C@]11OCOC11COCO1 |c:11,t:7|
Show InChI InChI=1S/C24H30O6/c1-14-8-18-17-5-4-15-9-16(25)6-7-21(15,2)20(17)19(26)10-22(18,3)24(14)23(29-13-30-24)11-27-12-28-23/h6-7,9,14,17-18,20H,4-5,8,10-13H2,1-3H3/t14-,17?,18?,20?,21-,22-,23?,24+/m0/s1
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n/an/a 9.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067850
PNG
(CHEMBL424292 | [(2S,10R,13R)-17-(1,5-Dimethyl-hexy...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)[C@H](CC(O)=O)C[C@]4(C)C3CC[C@]12C |t:15|
Show InChI InChI=1S/C29H46O3/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-16-26(30)20(15-27(31)32)17-29(21,5)25(22)13-14-28(23,24)4/h16,18-20,22-25H,6-15,17H2,1-5H3,(H,31,32)/t19?,20-,22?,23?,24?,25?,28-,29+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067845
PNG
((7S,10R,13R)-17-(1,5-Dimethyl-hexyl)-7-ethyl-10,13...)
Show SMILES CC[C@H]1CC2=CC(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C |t:4|
Show InChI InChI=1S/C29H48O/c1-7-21-17-22-18-23(30)13-15-28(22,5)26-14-16-29(6)24(11-12-25(29)27(21)26)20(4)10-8-9-19(2)3/h18-21,24-27H,7-17H2,1-6H3/t20?,21-,24?,25?,26?,27?,28-,29+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067822
PNG
(CHEMBL139097 | [(2S,10R,13R)-17-(1,5-Dimethyl-hexy...)
Show SMILES CCOC(=O)C[C@@H]1C[C@]2(C)C3CC[C@]4(C)C(CCC4C3CCC2=CC1=O)C(C)CCCC(C)C |c:25|
Show InChI InChI=1S/C31H50O3/c1-7-34-29(33)17-22-19-31(6)23(18-28(22)32)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,5)16-15-27(24)31/h18,20-22,24-27H,7-17,19H2,1-6H3/t21?,22-,24?,25?,26?,27?,30-,31+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067824
PNG
(3-((3aS,6R)-3-Acetyl-3a,6-dimethyl-5,7-dioxo-dodec...)
Show SMILES CC(=O)C1CCC2C3CCC(=O)[C@](C)(CCC(O)=O)C3C(=O)C[C@]12C
Show InChI InChI=1S/C20H28O5/c1-11(21)13-5-6-14-12-4-7-16(23)19(2,9-8-17(24)25)18(12)15(22)10-20(13,14)3/h12-14,18H,4-10H2,1-3H3,(H,24,25)/t12?,13?,14?,18?,19-,20+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067829
PNG
(2'',13'',15''-trimethyl-(2''R,5'R,13''R,15''S)-dis...)
Show SMILES C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(=O)C[C@]2(C)[C@]11OCOC11COCO1 |c:11,t:7|
Show InChI InChI=1S/C24H30O6/c1-14-8-18-17-5-4-15-9-16(25)6-7-21(15,2)20(17)19(26)10-22(18,3)24(14)23(29-13-30-24)11-27-12-28-23/h6-7,9,14,17-18,20H,4-5,8,10-13H2,1-3H3/t14-,17?,18?,20?,21+,22+,23?,24-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067832
PNG
(3a,6-dimethyl-5,7-dioxo-(3'R,3aS,6R)-dispiro[perhy...)
Show SMILES C[C@]12CC(=O)C3C(CCC(=O)[C@]3(C)C(O)=O)C1CC[C@@]21OCOC11COCO1
Show InChI InChI=1S/C20H26O8/c1-17-7-13(21)15-11(3-4-14(22)18(15,2)16(23)24)12(17)5-6-19(17)20(28-10-26-19)8-25-9-27-20/h11-12,15H,3-10H2,1-2H3,(H,23,24)/t11?,12?,15?,17-,18-,19+,20?/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067839
PNG
((10R,13S)-17-(2-Hydroxy-acetyl)-10,13-dimethyl-1,6...)
Show SMILES C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(=O)CO |t:9|
Show InChI InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14?,15?,16?,19?,20-,21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067836
PNG
((S)-2-[(3aR,6R)-3-(1,5-Dimethyl-hexyl)-3a,6-dimeth...)
Show SMILES CCOC(=O)C[C@H](C[C@]1(C)C2CC[C@]3(C)C(CCC3C2CCC1=O)C(C)CCCC(C)C)C(O)=O
Show InChI InChI=1S/C30H50O5/c1-7-35-27(32)17-21(28(33)34)18-30(6)25-15-16-29(5)23(20(4)10-8-9-19(2)3)12-13-24(29)22(25)11-14-26(30)31/h19-25H,7-18H2,1-6H3,(H,33,34)/t20?,21-,22?,23?,24?,25?,29-,30-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067837
PNG
(2-Ethyl-butyric acid 2-((10R,11S,13S,17R)-11,17-di...)
Show SMILES CCC(CC)C(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@]12C |t:19|
Show InChI InChI=1S/C27H40O6/c1-5-16(6-2)24(31)33-15-22(30)27(32)12-10-20-19-8-7-17-13-18(28)9-11-25(17,3)23(19)21(29)14-26(20,27)4/h13,16,19-21,23,29,32H,5-12,14-15H2,1-4H3/t19?,20?,21-,23?,25-,26-,27-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067840
PNG
(3-[(3aR,6R,9S)-3-(1,5-Dimethyl-hexyl)-3a,6,9-trime...)
Show SMILES COC(=O)CC[C@]1(C)C2CC[C@]3(C)C(CCC3C2[C@@H](C)CC1=O)C(C)CCCC(C)C
Show InChI InChI=1S/C28H48O3/c1-18(2)9-8-10-19(3)21-11-12-22-26-20(4)17-24(29)28(6,16-14-25(30)31-7)23(26)13-15-27(21,22)5/h18-23,26H,8-17H2,1-7H3/t19?,20-,21?,22?,23?,26?,27+,28+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair