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Articleid 50029295

Compile data set for download or QSAR
Found 14 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))
BDBM50450086
PNG
(CHEMBL2114043)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C34H56N4O9/c1-20(2)11-9-12-23(7)13-10-14-24(8)18-29(41)35-25(33(44)45)15-16-28(40)38-30(22(5)6)32(43)36-26(17-21(3)4)31(42)37-27(19-39)34(46)47/h11,13,18,21-22,25-27,30,39H,9-10,12,14-17,19H2,1-8H3,(H,35,41)(H,36,43)(H,37,42)(H,38,40)(H,44,45)(H,46,47)/b23-13+,24-18+/t25-,26-,27-,30-/m0/s1
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Article
n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50450086
PNG
(CHEMBL2114043)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C34H56N4O9/c1-20(2)11-9-12-23(7)13-10-14-24(8)18-29(41)35-25(33(44)45)15-16-28(40)38-30(22(5)6)32(43)36-26(17-21(3)4)31(42)37-27(19-39)34(46)47/h11,13,18,21-22,25-27,30,39H,9-10,12,14-17,19H2,1-8H3,(H,35,41)(H,36,43)(H,37,42)(H,38,40)(H,44,45)(H,46,47)/b23-13+,24-18+/t25-,26-,27-,30-/m0/s1
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Article
n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50283069
PNG
((S)-3-Hydroxy-2-((S)-4-methyl-2-{(S)-3-methyl-2-[(...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#7]-[#6]P([#8])([#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C35H61N4O10P/c1-22(2)11-9-12-25(7)13-10-14-26(8)15-16-27(32(42)36-21-50(47,48)49)17-18-30(41)39-31(24(5)6)34(44)37-28(19-23(3)4)33(43)38-29(20-40)35(45)46/h11,13,15,23-24,27-29,31,40H,9-10,12,14,16-21H2,1-8H3,(H,36,42)(H,37,44)(H,38,43)(H,39,41)(H,45,46)(H2,47,48,49)/b25-13+,26-15+/t27?,28-,29-,31-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50283064
PNG
(2-(2-{(S)-1-[(S)-1-((S)-1-Carboxy-2-hydroxy-ethylc...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C34H57N3O8/c1-21(2)11-9-12-24(7)13-10-14-25(8)15-16-26(33(42)43)17-18-29(39)37-30(23(5)6)32(41)35-27(19-22(3)4)31(40)36-28(20-38)34(44)45/h11,13,15,22-23,26-28,30,38H,9-10,12,14,16-20H2,1-8H3,(H,35,41)(H,36,40)(H,37,39)(H,42,43)(H,44,45)/b24-13+,25-15+/t26?,27-,28-,30-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50283063
PNG
((4E,8E)-2-((S)-3-{1-[1-((S)-1-(S)-Carboxy-2-hydrox...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C35H59N3O8/c1-22(2)12-9-13-25(7)14-10-15-26(8)18-19-27(34(43)44)16-11-17-30(40)38-31(24(5)6)33(42)36-28(20-23(3)4)32(41)37-29(21-39)35(45)46/h12,14,18,23-24,27-29,31,39H,9-11,13,15-17,19-21H2,1-8H3,(H,36,42)(H,37,41)(H,38,40)(H,43,44)(H,45,46)/b25-14+,26-18+/t27?,28-,29-,31-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50283062
PNG
((4E,8E)-2-((S)-4-{1-[1-((S)-1-(S)-Carboxy-2-hydrox...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C36H61N3O8/c1-23(2)13-11-14-26(7)15-12-16-27(8)19-20-28(35(44)45)17-9-10-18-31(41)39-32(25(5)6)34(43)37-29(21-24(3)4)33(42)38-30(22-40)36(46)47/h13,15,19,24-25,28-30,32,40H,9-12,14,16-18,20-22H2,1-8H3,(H,37,43)(H,38,42)(H,39,41)(H,44,45)(H,46,47)/b26-15+,27-19+/t28?,29-,30-,32-/m0/s1
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Article
n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50450085
PNG
(CHEMBL2114046)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C34H58N4O8/c1-21(2)11-9-12-24(7)13-10-14-25(8)17-18-35-26(33(43)44)15-16-29(40)38-30(23(5)6)32(42)36-27(19-22(3)4)31(41)37-28(20-39)34(45)46/h11,13,17,22-23,26-28,30,35,39H,9-10,12,14-16,18-20H2,1-8H3,(H,36,42)(H,37,41)(H,38,40)(H,43,44)(H,45,46)/b24-13+,25-17+/t26-,27-,28-,30-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50283068
PNG
((S)-4-{1-[1-((S)-1-(S)-Carboxy-2-hydroxy-ethylcarb...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6](-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C35H58N4O9/c1-21(2)11-9-12-24(7)13-10-14-25(8)17-18-36-31(42)26(34(45)46)15-16-29(41)39-30(23(5)6)33(44)37-27(19-22(3)4)32(43)38-28(20-40)35(47)48/h11,13,17,22-23,26-28,30,40H,9-10,12,14-16,18-20H2,1-8H3,(H,36,42)(H,37,44)(H,38,43)(H,39,41)(H,45,46)(H,47,48)/b24-13+,25-17+/t26?,27-,28-,30-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50283066
PNG
((4E,8E)-2-({1-[1-((S)-1-(S)-Carboxy-2-hydroxy-ethy...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C33H55N3O8/c1-20(2)11-9-12-23(7)13-10-14-24(8)15-16-25(32(41)42)18-28(38)36-29(22(5)6)31(40)34-26(17-21(3)4)30(39)35-27(19-37)33(43)44/h11,13,15,21-22,25-27,29,37H,9-10,12,14,16-19H2,1-8H3,(H,34,40)(H,35,39)(H,36,38)(H,41,42)(H,43,44)/b23-13+,24-15+/t25?,26-,27-,29-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50283070
PNG
(2-(2-{(S)-1-[(S)-1-((S)-1-Carboxy-2-hydroxy-ethylc...)
Show SMILES CCCCCCCCCCCCC(CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H57N3O8/c1-6-7-8-9-10-11-12-13-14-15-16-23(30(39)40)17-18-26(36)34-27(22(4)5)29(38)32-24(19-21(2)3)28(37)33-25(20-35)31(41)42/h21-25,27,35H,6-20H2,1-5H3,(H,32,38)(H,33,37)(H,34,36)(H,39,40)(H,41,42)/t23?,24-,25-,27-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50450084
PNG
(CHEMBL2115115)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6@@H](-[#7]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C34H58N4O8/c1-21(2)11-9-12-24(7)13-10-14-25(8)17-18-35-26(33(43)44)15-16-29(40)38-30(23(5)6)32(42)36-27(19-22(3)4)31(41)37-28(20-39)34(45)46/h11,13,17,22-23,26-28,30,35,39H,9-10,12,14-16,18-20H2,1-8H3,(H,36,42)(H,37,41)(H,38,40)(H,43,44)(H,45,46)/b24-13+,25-17+/t26-,27+,28+,30+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50283071
PNG
(2-((S)-2-tert-Butoxycarbonylamino-2-{(S)-1-[(S)-1-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C39H66N4O10/c1-23(2)14-12-15-26(7)16-13-17-27(8)18-19-28(36(48)49)21-30(42-38(52)53-39(9,10)11)34(46)43-32(25(5)6)35(47)40-29(20-24(3)4)33(45)41-31(22-44)37(50)51/h14,16,18,24-25,28-32,44H,12-13,15,17,19-22H2,1-11H3,(H,40,47)(H,41,45)(H,42,52)(H,43,46)(H,48,49)(H,50,51)/b26-16+,27-18+/t28?,29-,30-,31-,32-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50283067
PNG
((S)-3-Hydroxy-2-{(S)-4-methyl-2-[(S)-3-methyl-2-((...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C33H57N3O6/c1-22(2)14-12-16-26(8)18-13-17-25(7)15-10-9-11-19-29(38)36-30(24(5)6)32(40)34-27(20-23(3)4)31(39)35-28(21-37)33(41)42/h14-15,18,23-24,27-28,30,37H,9-13,16-17,19-21H2,1-8H3,(H,34,40)(H,35,39)(H,36,38)(H,41,42)/b25-15+,26-18+/t27-,28-,30-/m0/s1
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Article
n/an/a>3.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50283065
PNG
((E)-2-(2-{(S)-1-[(S)-1-((S)-1-Carboxy-2-hydroxy-et...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O)-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C36H61N3O8/c1-10-47-36(46)28(18-17-27(9)16-12-15-26(8)14-11-13-23(2)3)19-20-31(41)39-32(25(6)7)34(43)37-29(21-24(4)5)33(42)38-30(22-40)35(44)45/h13,15,17,24-25,28-30,32,40H,10-12,14,16,18-22H2,1-9H3,(H,37,43)(H,38,42)(H,39,41)(H,44,45)/b26-15+,27-17+/t28?,29-,30-,32-/m0/s1
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Article
n/an/a>3.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ras Farnesyltransferase


Bioorg Med Chem Lett 4: 2107-2112 (1994)


Article DOI: 10.1016/S0960-894X(01)80111-6
BindingDB Entry DOI: 10.7270/Q2ZW1KTF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%