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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50008659   
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))
BDBM50075841
PNG
((S)-2-[(5-{2-[4-(Adamantane-1-carbonyl)-pyridin-3-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1-c1ccccc1C)C(O)=O |TLB:25:26:30:23.24.29,THB:25:24:30:31.26.27|
Show InChI InChI=1S/C37H40N2O4S/c1-23-5-3-4-6-29(23)32-18-24(8-10-31(32)35(41)39-33(36(42)43)12-14-44-2)7-9-28-22-38-13-11-30(28)34(40)37-19-25-15-26(20-37)17-27(16-25)21-37/h3-11,13,18,22,25-27,33H,12,14-17,19-21H2,1-2H3,(H,39,41)(H,42,43)/b9-7+/t25-,26+,27-,33-,37-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075837
PNG
((S)-2-({5-[2-(3H-Imidazol-4-yl)-ethyl]-2'-methyl-b...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CCc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C24H27N3O3S/c1-16-5-3-4-6-19(16)21-13-17(7-9-18-14-25-15-26-18)8-10-20(21)23(28)27-22(24(29)30)11-12-31-2/h3-6,8,10,13-15,22H,7,9,11-12H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)/t22-/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075851
PNG
((S)-2-{[5-(2-Imidazol-1-yl-vinyl)-2'-methyl-biphen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\n2ccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C24H25N3O3S/c1-17-5-3-4-6-19(17)21-15-18(9-12-27-13-11-25-16-27)7-8-20(21)23(28)26-22(24(29)30)10-14-31-2/h3-9,11-13,15-16,22H,10,14H2,1-2H3,(H,26,28)(H,29,30)/b12-9+/t22-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075861
PNG
((S)-2-{[5-(2-Imidazol-1-yl-ethyl)-2'-methyl-biphen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CCn2ccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C24H27N3O3S/c1-17-5-3-4-6-19(17)21-15-18(9-12-27-13-11-25-16-27)7-8-20(21)23(28)26-22(24(29)30)10-14-31-2/h3-8,11,13,15-16,22H,9-10,12,14H2,1-2H3,(H,26,28)(H,29,30)/t22-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075844
PNG
((S)-2-({5-[2-((E)-4-Hydroxy-pyridin-3-yl)-vinyl]-2...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(C=Cc2cnccc2O)cc1-c1ccccc1C)C(O)=O |w:13.13|
Show InChI InChI=1S/C26H26N2O4S/c1-17-5-3-4-6-20(17)22-15-18(7-9-19-16-27-13-11-24(19)29)8-10-21(22)25(30)28-23(26(31)32)12-14-33-2/h3-11,13,15-16,23H,12,14H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)/t23-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075842
PNG
((S)-2-({5-[2-((E)-4-Chloro-pyridin-3-yl)-vinyl]-2'...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2Cl)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C26H25ClN2O3S/c1-17-5-3-4-6-20(17)22-15-18(7-9-19-16-28-13-11-23(19)27)8-10-21(22)25(30)29-24(26(31)32)12-14-33-2/h3-11,13,15-16,24H,12,14H2,1-2H3,(H,29,30)(H,31,32)/b9-7+/t24-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075850
PNG
((S)-2-[(5-{2-[(E)-4-(3,5-Difluoro-benzyloxy)-pyrid...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2OCc2cc(F)cc(F)c2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H30F2N2O4S/c1-21-5-3-4-6-27(21)29-17-22(8-10-28(29)32(38)37-30(33(39)40)12-14-42-2)7-9-24-19-36-13-11-31(24)41-20-23-15-25(34)18-26(35)16-23/h3-11,13,15-19,30H,12,14,20H2,1-2H3,(H,37,38)(H,39,40)/b9-7+/t30-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075859
PNG
((S)-2-[(5-{2-[4-(Adamantan-1-yl-hydroxy-methyl)-py...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1-c1ccccc1C)C(O)=O |TLB:25:26:30:23.24.29,THB:25:24:30:31.26.27|
Show InChI InChI=1S/C37H42N2O4S/c1-23-5-3-4-6-29(23)32-18-24(8-10-31(32)35(41)39-33(36(42)43)12-14-44-2)7-9-28-22-38-13-11-30(28)34(40)37-19-25-15-26(20-37)17-27(16-25)21-37/h3-11,13,18,22,25-27,33-34,40H,12,14-17,19-21H2,1-2H3,(H,39,41)(H,42,43)/b9-7+/t25-,26+,27-,33-,34?,37-/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067563
PNG
((S)-2-{[2'-Methyl-5-(pyridin-3-yloxymethyl)-biphen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C25H26N2O4S/c1-17-6-3-4-8-20(17)22-14-18(16-31-19-7-5-12-26-15-19)9-10-21(22)24(28)27-23(25(29)30)11-13-32-2/h3-10,12,14-15,23H,11,13,16H2,1-2H3,(H,27,28)(H,29,30)/t23-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
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 0.510n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075865
PNG
((S)-2-[(5-{2-[(E)-4-(Cyclohexyl-hydroxy-methyl)-py...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(O)C2CCCCC2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H38N2O4S/c1-22-8-6-7-11-26(22)29-20-23(13-15-28(29)32(37)35-30(33(38)39)17-19-40-2)12-14-25-21-34-18-16-27(25)31(36)24-9-4-3-5-10-24/h6-8,11-16,18,20-21,24,30-31,36H,3-5,9-10,17,19H2,1-2H3,(H,35,37)(H,38,39)/b14-12+/t30-,31?/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075867
PNG
((S)-2-[(5-{2-[(E)-4-(Hydroxy-phenyl-methyl)-pyridi...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(O)c2ccccc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H32N2O4S/c1-22-8-6-7-11-26(22)29-20-23(13-15-28(29)32(37)35-30(33(38)39)17-19-40-2)12-14-25-21-34-18-16-27(25)31(36)24-9-4-3-5-10-24/h3-16,18,20-21,30-31,36H,17,19H2,1-2H3,(H,35,37)(H,38,39)/b14-12+/t30-,31?/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075838
PNG
((S)-2-{[5-((Z)-1-Cyano-2-pyridin-3-yl-vinyl)-2'-me...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1-c1ccccc1C)C(=C\c1cccnc1)\C#N)C(O)=O
Show InChI InChI=1S/C27H25N3O3S/c1-18-6-3-4-8-22(18)24-15-20(21(16-28)14-19-7-5-12-29-17-19)9-10-23(24)26(31)30-25(27(32)33)11-13-34-2/h3-10,12,14-15,17,25H,11,13H2,1-2H3,(H,30,31)(H,32,33)/b21-14+/t25-/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075856
PNG
((S)-2-({2'-Methyl-5-[((E)-2-pyridin-3-yl)-vinyl]-b...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C26H26N2O3S/c1-18-6-3-4-8-21(18)23-16-19(9-10-20-7-5-14-27-17-20)11-12-22(23)25(29)28-24(26(30)31)13-15-32-2/h3-12,14,16-17,24H,13,15H2,1-2H3,(H,28,29)(H,30,31)/b10-9+/t24-/m0/s1
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n/an/a 0.610n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075857
PNG
((S)-2-({5-[(E)-2-(3H-Imidazol-4-yl)-vinyl]-2'-meth...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(C=Cc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O |w:13.13|
Show InChI InChI=1S/C24H25N3O3S/c1-16-5-3-4-6-19(16)21-13-17(7-9-18-14-25-15-26-18)8-10-20(21)23(28)27-22(24(29)30)11-12-31-2/h3-10,13-15,22H,11-12H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)/t22-/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075839
PNG
((S)-2-[(5-{2-[(E)-4-(Hydroxy-diphenyl-methyl)-pyri...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(O)(c2ccccc2)c2ccccc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C39H36N2O4S/c1-27-11-9-10-16-32(27)34-25-28(18-20-33(34)37(42)41-36(38(43)44)22-24-46-2)17-19-29-26-40-23-21-35(29)39(45,30-12-5-3-6-13-30)31-14-7-4-8-15-31/h3-21,23,25-26,36,45H,22,24H2,1-2H3,(H,41,42)(H,43,44)/b19-17+/t36-/m0/s1
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n/an/a 0.660n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075847
PNG
((S)-2-{[5-(2-Isoquinolin-4-yl-vinyl)-2'-methyl-bip...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cncc3ccccc23)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C30H28N2O3S/c1-20-7-3-5-9-24(20)27-17-21(11-13-23-19-31-18-22-8-4-6-10-25(22)23)12-14-26(27)29(33)32-28(30(34)35)15-16-36-2/h3-14,17-19,28H,15-16H2,1-2H3,(H,32,33)(H,34,35)/b13-11+/t28-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075866
PNG
((S)-2-[(5-{2-[(E)-4-(1-Hydroxy-cyclohexyl)-pyridin...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C2(O)CCCCC2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H36N2O4S/c1-22-8-4-5-9-25(22)27-20-23(11-13-26(27)30(35)34-29(31(36)37)15-19-39-2)10-12-24-21-33-18-14-28(24)32(38)16-6-3-7-17-32/h4-5,8-14,18,20-21,29,38H,3,6-7,15-17,19H2,1-2H3,(H,34,35)(H,36,37)/b12-10+/t29-/m0/s1
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n/an/a 0.810n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075853
PNG
((S)-2-{[5-((Z)-1-tert-Butoxycarbonyl-2-pyridin-3-y...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1-c1ccccc1C)C(=C\c1cccnc1)\C(=O)OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H34N2O5S/c1-20-9-6-7-11-23(20)26-18-22(12-13-24(26)28(34)33-27(29(35)36)14-16-39-5)25(30(37)38-31(2,3)4)17-21-10-8-15-32-19-21/h6-13,15,17-19,27H,14,16H2,1-5H3,(H,33,34)(H,35,36)/b25-17-/t27-/m0/s1
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n/an/a 0.910n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075852
PNG
((S)-2-({5-[2-((E)-4-Benzoyl-pyridin-3-yl)-vinyl]-2...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(=O)c2ccccc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H30N2O4S/c1-22-8-6-7-11-26(22)29-20-23(13-15-28(29)32(37)35-30(33(38)39)17-19-40-2)12-14-25-21-34-18-16-27(25)31(36)24-9-4-3-5-10-24/h3-16,18,20-21,30H,17,19H2,1-2H3,(H,35,37)(H,38,39)/b14-12+/t30-/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075845
PNG
((S)-2-({2'-Methyl-5-[2-((E)-4-propoxy-pyridin-3-yl...)
Show SMILES CCCOc1ccncc1\C=C\c1ccc(C(=O)N[C@@H](CCSC)C(O)=O)c(c1)-c1ccccc1C
Show InChI InChI=1S/C29H32N2O4S/c1-4-16-35-27-13-15-30-19-22(27)11-9-21-10-12-24(25(18-21)23-8-6-5-7-20(23)2)28(32)31-26(29(33)34)14-17-36-3/h5-13,15,18-19,26H,4,14,16-17H2,1-3H3,(H,31,32)(H,33,34)/b11-9+/t26-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075846
PNG
((S)-2-{[2'-Methyl-5-(2-pyridin-3-yl-ethyl)-bipheny...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CCc2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C26H28N2O3S/c1-18-6-3-4-8-21(18)23-16-19(9-10-20-7-5-14-27-17-20)11-12-22(23)25(29)28-24(26(30)31)13-15-32-2/h3-8,11-12,14,16-17,24H,9-10,13,15H2,1-2H3,(H,28,29)(H,30,31)/t24-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075840
PNG
((S)-4-Methylsulfanyl-2-({2'-methyl-5-[((E)-2-thiaz...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cncs2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C24H24N2O3S2/c1-16-5-3-4-6-19(16)21-13-17(7-9-18-14-25-15-31-18)8-10-20(21)23(27)26-22(24(28)29)11-12-30-2/h3-10,13-15,22H,11-12H2,1-2H3,(H,26,27)(H,28,29)/b9-7+/t22-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075855
PNG
((S)-2-[(2'-Methyl-5-pyridin-3-ylethynyl-biphenyl-2...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1-c1ccccc1C)C#Cc1cccnc1)C(O)=O
Show InChI InChI=1S/C26H24N2O3S/c1-18-6-3-4-8-21(18)23-16-19(9-10-20-7-5-14-27-17-20)11-12-22(23)25(29)28-24(26(30)31)13-15-32-2/h3-8,11-12,14,16-17,24H,13,15H2,1-2H3,(H,28,29)(H,30,31)/t24-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075864
PNG
((S)-2-({5-[2-((E)-4-Methoxy-pyridin-3-yl)-vinyl]-2...)
Show SMILES COc1ccncc1\C=C\c1ccc(C(=O)N[C@@H](CCSC)C(O)=O)c(c1)-c1ccccc1C
Show InChI InChI=1S/C27H28N2O4S/c1-18-6-4-5-7-21(18)23-16-19(8-10-20-17-28-14-12-25(20)33-2)9-11-22(23)26(30)29-24(27(31)32)13-15-34-3/h4-12,14,16-17,24H,13,15H2,1-3H3,(H,29,30)(H,31,32)/b10-8+/t24-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075862
PNG
((S)-2-{[5-((E)-1-Cyano-2-pyridin-3-yl-vinyl)-2'-me...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1-c1ccccc1C)C(=C/c1cccnc1)\C#N)C(O)=O
Show InChI InChI=1S/C27H25N3O3S/c1-18-6-3-4-8-22(18)24-15-20(21(16-28)14-19-7-5-12-29-17-19)9-10-23(24)26(31)30-25(27(32)33)11-13-34-2/h3-10,12,14-15,17,25H,11,13H2,1-2H3,(H,30,31)(H,32,33)/b21-14-/t25-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075854
PNG
((S)-2-({5-[2-((E)-5-Benzyl-pyridin-3-yl)-vinyl]-2'...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cncc(Cc3ccccc3)c2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H32N2O3S/c1-23-8-6-7-11-28(23)30-20-25(14-15-29(30)32(36)35-31(33(37)38)16-17-39-2)12-13-26-19-27(22-34-21-26)18-24-9-4-3-5-10-24/h3-15,19-22,31H,16-18H2,1-2H3,(H,35,36)(H,37,38)/b13-12+/t31-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075843
PNG
((S)-2-({2'-Methyl-5-[2-((E)-5-phenyl-pyridin-3-yl)...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cncc(c2)-c2ccccc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H30N2O3S/c1-22-8-6-7-11-27(22)29-19-23(14-15-28(29)31(35)34-30(32(36)37)16-17-38-2)12-13-24-18-26(21-33-20-24)25-9-4-3-5-10-25/h3-15,18-21,30H,16-17H2,1-2H3,(H,34,35)(H,36,37)/b13-12+/t30-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075848
PNG
((S)-2-{[5-((E)-1-tert-Butoxycarbonyl-2-pyridin-3-y...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1-c1ccccc1C)C(=C/c1cccnc1)\C(=O)OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H34N2O5S/c1-20-9-6-7-11-23(20)26-18-22(12-13-24(26)28(34)33-27(29(35)36)14-16-39-5)25(30(37)38-31(2,3)4)17-21-10-8-15-32-19-21/h6-13,15,17-19,27H,14,16H2,1-5H3,(H,33,34)(H,35,36)/b25-17+/t27-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075836
PNG
((S)-2-({2'-Methyl-5-[((E)-2-quinolin-3-yl)-vinyl]-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnc3ccccc3c2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C30H28N2O3S/c1-20-7-3-5-9-24(20)26-18-21(11-12-22-17-23-8-4-6-10-27(23)31-19-22)13-14-25(26)29(33)32-28(30(34)35)15-16-36-2/h3-14,17-19,28H,15-16H2,1-2H3,(H,32,33)(H,34,35)/b12-11+/t28-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075863
PNG
((S)-2-({2'-Methyl-5-[((E)-2-pyrimidin-5-yl)-vinyl]...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cncnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C25H25N3O3S/c1-17-5-3-4-6-20(17)22-13-18(7-8-19-14-26-16-27-15-19)9-10-21(22)24(29)28-23(25(30)31)11-12-32-2/h3-10,13-16,23H,11-12H2,1-2H3,(H,28,29)(H,30,31)/b8-7+/t23-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075860
PNG
((S)-2-({2'-Methyl-5-[2-((E)-6-phenoxy-pyridin-3-yl...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2ccc(Oc3ccccc3)nc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H30N2O4S/c1-22-8-6-7-11-26(22)28-20-23(14-16-27(28)31(35)34-29(32(36)37)18-19-39-2)12-13-24-15-17-30(33-21-24)38-25-9-4-3-5-10-25/h3-17,20-21,29H,18-19H2,1-2H3,(H,34,35)(H,36,37)/b13-12+/t29-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075849
PNG
((S)-2-({2'-Methyl-5-[((E)-2-pyrazin-2-yl)-vinyl]-b...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccn2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C25H25N3O3S/c1-17-5-3-4-6-20(17)22-15-18(7-9-19-16-26-12-13-27-19)8-10-21(22)24(29)28-23(25(30)31)11-14-32-2/h3-10,12-13,15-16,23H,11,14H2,1-2H3,(H,28,29)(H,30,31)/b9-7+/t23-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075858
PNG
((S)-2-[(2'-Methyl-5-pyrimidin-5-ylethynyl-biphenyl...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1-c1ccccc1C)C#Cc1cncnc1)C(O)=O
Show InChI InChI=1S/C25H23N3O3S/c1-17-5-3-4-6-20(17)22-13-18(7-8-19-14-26-16-27-15-19)9-10-21(22)24(29)28-23(25(30)31)11-12-32-2/h3-6,9-10,13-16,23H,11-12H2,1-2H3,(H,28,29)(H,30,31)/t23-/m0/s1
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MMDB

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n/an/a 140n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair