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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'saeed' and Initial = 'b'   
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


(Bos taurus (bovine))
BDBM50080764
PNG
((S)-2-({5-[(Benzyl-pyridin-3-yl-amino)-methyl]-2'-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H33N3O3S/c1-23-9-6-7-13-27(23)29-19-25(14-15-28(29)31(36)34-30(32(37)38)16-18-39-2)22-35(26-12-8-17-33-20-26)21-24-10-4-3-5-11-24/h3-15,17,19-20,30H,16,18,21-22H2,1-2H3,(H,34,36)(H,37,38)/t30-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50080742
PNG
((S)-2-[(5-{[Benzyl-(5-fluoro-pyridin-3-yl)-amino]-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cncc(F)c2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H32FN3O3S/c1-22-8-6-7-11-27(22)29-16-24(12-13-28(29)31(37)35-30(32(38)39)14-15-40-2)21-36(20-23-9-4-3-5-10-23)26-17-25(33)18-34-19-26/h3-13,16-19,30H,14-15,20-21H2,1-2H3,(H,35,37)(H,38,39)/t30-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50080765
PNG
((S)-2-({5-[(Cyclohexylmethyl-pyridin-3-yl-amino)-m...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(CC2CCCCC2)c2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H39N3O3S/c1-23-9-6-7-13-27(23)29-19-25(14-15-28(29)31(36)34-30(32(37)38)16-18-39-2)22-35(26-12-8-17-33-20-26)21-24-10-4-3-5-11-24/h6-9,12-15,17,19-20,24,30H,3-5,10-11,16,18,21-22H2,1-2H3,(H,34,36)(H,37,38)/t30-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
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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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


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082910
PNG
((S)-2-({5-[((S)-1-Cyclohexylmethyl-2-ethanesulfony...)
Show SMILES CCS(=O)(=O)C[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCSC)C(O)=O)c(c1)-c1ccccc1C
Show InChI InChI=1S/C31H44N2O5S2/c1-4-40(37,38)21-25(18-23-11-6-5-7-12-23)32-20-24-14-15-27(28(19-24)26-13-9-8-10-22(26)2)30(34)33-29(31(35)36)16-17-39-3/h8-10,13-15,19,23,25,29,32H,4-7,11-12,16-18,20-21H2,1-3H3,(H,33,34)(H,35,36)/t25-,29-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
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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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


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082897
PNG
((S)-2-({5-[((S)-2-Cyclohexyl-1-hydroxymethyl-ethyl...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN[C@H](CO)CC2CCCCC2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C29H40N2O4S/c1-20-8-6-7-11-24(20)26-17-22(18-30-23(19-32)16-21-9-4-3-5-10-21)12-13-25(26)28(33)31-27(29(34)35)14-15-36-2/h6-8,11-13,17,21,23,27,30,32H,3-5,9-10,14-16,18-19H2,1-2H3,(H,31,33)(H,34,35)/t23-,27-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082918
PNG
(2-({5-[(2-Cyclohexyl-ethylamino)-methyl]-2'-methyl...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CNCCC2CCCCC2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C28H38N2O3S/c1-20-8-6-7-11-23(20)25-18-22(19-29-16-14-21-9-4-3-5-10-21)12-13-24(25)27(31)30-26(28(32)33)15-17-34-2/h6-8,11-13,18,21,26,29H,3-5,9-10,14-17,19H2,1-2H3,(H,30,31)(H,32,33)/p-1/t26-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082909
PNG
(2-[(5-{[tert-Butoxycarbonyl-(2-cyclohexyl-ethyl)-a...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(CCC2CCCCC2)C(=O)OC(C)(C)C)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C33H46N2O5S/c1-23-11-9-10-14-26(23)28-21-25(15-16-27(28)30(36)34-29(31(37)38)18-20-41-5)22-35(32(39)40-33(2,3)4)19-17-24-12-7-6-8-13-24/h9-11,14-16,21,24,29H,6-8,12-13,17-20,22H2,1-5H3,(H,34,36)(H,37,38)/p-1/t29-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
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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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


(Bos taurus (bovine))
BDBM50080748
PNG
((S)-2-[(5-{[(3,5-Difluoro-benzyl)-thiazol-5-ylmeth...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2cncs2)Cc2cc(F)cc(F)c2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C31H31F2N3O3S2/c1-20-5-3-4-6-26(20)28-13-21(7-8-27(28)30(37)35-29(31(38)39)9-10-40-2)16-36(18-25-15-34-19-41-25)17-22-11-23(32)14-24(33)12-22/h3-8,11-15,19,29H,9-10,16-18H2,1-2H3,(H,35,37)(H,38,39)/t29-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082904
PNG
((S)-2-({5-[((S)-1-Cyclohexylmethyl-2-phenylsulfany...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN[C@H](CSc2ccccc2)CC2CCCCC2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C35H44N2O3S2/c1-25-11-9-10-16-30(25)32-22-27(17-18-31(32)34(38)37-33(35(39)40)19-20-41-2)23-36-28(21-26-12-5-3-6-13-26)24-42-29-14-7-4-8-15-29/h4,7-11,14-18,22,26,28,33,36H,3,5-6,12-13,19-21,23-24H2,1-2H3,(H,37,38)(H,39,40)/t28-,33-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM16180
PNG
((2S)-2-{[4-({[(2S)-1-cyclohexyl-3-(ethylsulfanyl)p...)
Show SMILES CCSC[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCSC)C(O)=O)c(c1)-c1ccccc1C |r|
Show InChI InChI=1S/C31H44N2O3S2/c1-4-38-21-25(18-23-11-6-5-7-12-23)32-20-24-14-15-27(28(19-24)26-13-9-8-10-22(26)2)30(34)33-29(31(35)36)16-17-37-3/h8-10,13-15,19,23,25,29,32H,4-7,11-12,16-18,20-21H2,1-3H3,(H,33,34)(H,35,36)/t25-,29-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
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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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


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082895
PNG
(2-({5-[(1-Cyclohexylmethyl-5-methyl-hex-2-enylamin...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN[C@@H](CC2CCCCC2)\C=C\CC(C)C)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C34H48N2O3S/c1-24(2)11-10-15-28(21-26-13-6-5-7-14-26)35-23-27-17-18-30(31(22-27)29-16-9-8-12-25(29)3)33(37)36-32(34(38)39)19-20-40-4/h8-10,12,15-18,22,24,26,28,32,35H,5-7,11,13-14,19-21,23H2,1-4H3,(H,36,37)(H,38,39)/p-1/b15-10+/t28-,32+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082914
PNG
(2-({5-[(2-Cyclohexyl-1-cyclohexylmethyl-ethylamino...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CNC(CC2CCCCC2)CC2CCCCC2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C35H50N2O3S/c1-25-11-9-10-16-30(25)32-23-28(17-18-31(32)34(38)37-33(35(39)40)19-20-41-2)24-36-29(21-26-12-5-3-6-13-26)22-27-14-7-4-8-15-27/h9-11,16-18,23,26-27,29,33,36H,3-8,12-15,19-22,24H2,1-2H3,(H,37,38)(H,39,40)/p-1/t33-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082899
PNG
(2-({5-[(1-Cyclohexylmethyl-5-methyl-hex-2-enylamin...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN[C@H](CCCC(C)C)CC2CCCCC2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C34H50N2O3S/c1-24(2)11-10-15-28(21-26-13-6-5-7-14-26)35-23-27-17-18-30(31(22-27)29-16-9-8-12-25(29)3)33(37)36-32(34(38)39)19-20-40-4/h8-9,12,16-18,22,24,26,28,32,35H,5-7,10-11,13-15,19-21,23H2,1-4H3,(H,36,37)(H,38,39)/p-1/t28-,32+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
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))
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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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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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


(Bos taurus (bovine))
BDBM50067566
PNG
((S)-2-{[2'-Ethyl-5-(pyridin-3-yloxymethyl)-bipheny...)
Show SMILES CCc1ccccc1-c1cc(COc2cccnc2)ccc1C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C26H28N2O4S/c1-3-19-7-4-5-9-21(19)23-15-18(17-32-20-8-6-13-27-16-20)10-11-22(23)25(29)28-24(26(30)31)12-14-33-2/h4-11,13,15-16,24H,3,12,14,17H2,1-2H3,(H,28,29)(H,30,31)/t24-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase from bovine brain


J Med Chem 41: 4288-300 (1998)


Article DOI: 10.1021/jm980298s
BindingDB Entry DOI: 10.7270/Q20G3KTC
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


(Bos taurus (bovine))
BDBM50080747
PNG
((S)-2-[(5-{[(3,5-Difluoro-benzyl)-phenyl-amino]-me...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2cc(F)cc(F)c2)c2ccccc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H32F2N2O3S/c1-22-8-6-7-11-28(22)30-18-23(12-13-29(30)32(38)36-31(33(39)40)14-15-41-2)20-37(27-9-4-3-5-10-27)21-24-16-25(34)19-26(35)17-24/h3-13,16-19,31H,14-15,20-21H2,1-2H3,(H,36,38)(H,39,40)/t31-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50067581
PNG
((S)-2-{[2'-Methyl-5-(pyridin-3-ylaminomethyl)-biph...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CNc2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C25H27N3O3S/c1-17-6-3-4-8-20(17)22-14-18(15-27-19-7-5-12-26-16-19)9-10-21(22)24(29)28-23(25(30)31)11-13-32-2/h3-10,12,14,16,23,27H,11,13,15H2,1-2H3,(H,28,29)(H,30,31)/t23-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50080750
PNG
((S)-2-({5-[(Benzyl-pyrimidin-5-yl-amino)-methyl]-2...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cncnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C31H32N4O3S/c1-22-8-6-7-11-26(22)28-16-24(12-13-27(28)30(36)34-29(31(37)38)14-15-39-2)20-35(25-17-32-21-33-18-25)19-23-9-4-3-5-10-23/h3-13,16-18,21,29H,14-15,19-20H2,1-2H3,(H,34,36)(H,37,38)/t29-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50080743
PNG
((S)-2-({5-[(Benzyl-thiazol-5-ylmethyl-amino)-methy...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2cncs2)Cc2ccccc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C31H33N3O3S2/c1-22-8-6-7-11-26(22)28-16-24(12-13-27(28)30(35)33-29(31(36)37)14-15-38-2)19-34(20-25-17-32-21-39-25)18-23-9-4-3-5-10-23/h3-13,16-17,21,29H,14-15,18-20H2,1-2H3,(H,33,35)(H,36,37)/t29-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
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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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase from bovine brain


J Med Chem 41: 4288-300 (1998)


Article DOI: 10.1021/jm980298s
BindingDB Entry DOI: 10.7270/Q20G3KTC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
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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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
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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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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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082919
PNG
((S)-2-({5-[((S)-1-Cyclohexylmethyl-2-cyclohexylsul...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN[C@H](CSC2CCCCC2)CC2CCCCC2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C35H50N2O3S2/c1-25-11-9-10-16-30(25)32-22-27(17-18-31(32)34(38)37-33(35(39)40)19-20-41-2)23-36-28(21-26-12-5-3-6-13-26)24-42-29-14-7-4-8-15-29/h9-11,16-18,22,26,28-29,33,36H,3-8,12-15,19-21,23-24H2,1-2H3,(H,37,38)(H,39,40)/t28-,33-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50067581
PNG
((S)-2-{[2'-Methyl-5-(pyridin-3-ylaminomethyl)-biph...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CNc2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C25H27N3O3S/c1-17-6-3-4-8-20(17)22-14-18(15-27-19-7-5-12-26-16-19)9-10-21(22)24(29)28-23(25(30)31)11-13-32-2/h3-10,12,14,16,23,27H,11,13,15H2,1-2H3,(H,28,29)(H,30,31)/t23-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase from bovine brain


J Med Chem 41: 4288-300 (1998)


Article DOI: 10.1021/jm980298s
BindingDB Entry DOI: 10.7270/Q20G3KTC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082915
PNG
((S)-2-({5-[((S)-1-Cyclohexylmethyl-2-o-tolylsulfan...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN[C@H](CSc2ccccc2C)CC2CCCCC2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C36H46N2O3S2/c1-25-11-7-9-15-30(25)32-22-28(17-18-31(32)35(39)38-33(36(40)41)19-20-42-3)23-37-29(21-27-13-5-4-6-14-27)24-43-34-16-10-8-12-26(34)2/h7-12,15-18,22,27,29,33,37H,4-6,13-14,19-21,23-24H2,1-3H3,(H,38,39)(H,40,41)/t29-,33-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082907
PNG
(2-({5-[(1-Cyclohexylmethyl-pentylamino)-methyl]-2'...)
Show SMILES CCCC[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c1)-c1ccccc1C
Show InChI InChI=1S/C32H46N2O3S/c1-4-5-14-26(20-24-12-7-6-8-13-24)33-22-25-16-17-28(29(21-25)27-15-10-9-11-23(27)2)31(35)34-30(32(36)37)18-19-38-3/h9-11,15-17,21,24,26,30,33H,4-8,12-14,18-20,22H2,1-3H3,(H,34,35)(H,36,37)/p-1/t26-,30+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
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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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50067559
PNG
((S)-4-Methylsulfanyl-2-{[5-(pyridin-3-yloxymethyl)...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C25H23F3N2O4S/c1-35-12-10-22(24(32)33)30-23(31)19-9-8-16(15-34-17-5-4-11-29-14-17)13-20(19)18-6-2-3-7-21(18)25(26,27)28/h2-9,11,13-14,22H,10,12,15H2,1H3,(H,30,31)(H,32,33)/t22-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase from bovine brain


J Med Chem 41: 4288-300 (1998)


Article DOI: 10.1021/jm980298s
BindingDB Entry DOI: 10.7270/Q20G3KTC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50080759
PNG
((S)-2-{[2'-Methyl-4-phenethyl-5-(pyridin-3-yloxyme...)
Show SMILES CSCC[C@H](NC(=O)c1cc(CCc2ccccc2)c(COc2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H34N2O4S/c1-23-9-6-7-13-28(23)29-20-26(22-39-27-12-8-17-34-21-27)25(15-14-24-10-4-3-5-11-24)19-30(29)32(36)35-31(33(37)38)16-18-40-2/h3-13,17,19-21,31H,14-16,18,22H2,1-2H3,(H,35,36)(H,37,38)/t31-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
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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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase from bovine brain


J Med Chem 41: 4288-300 (1998)


Article DOI: 10.1021/jm980298s
BindingDB Entry DOI: 10.7270/Q20G3KTC
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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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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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


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082905
PNG
((S)-2-({5-[((S)-2-tert-Butylsulfanyl-1-cyclohexylm...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN[C@H](CSC(C)(C)C)CC2CCCCC2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H48N2O3S2/c1-23-11-9-10-14-27(23)29-20-25(15-16-28(29)31(36)35-30(32(37)38)17-18-39-5)21-34-26(22-40-33(2,3)4)19-24-12-7-6-8-13-24/h9-11,14-16,20,24,26,30,34H,6-8,12-13,17-19,21-22H2,1-5H3,(H,35,36)(H,37,38)/t26-,30-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50067569
PNG
((S)-2-{[2'-Chloro-5-(pyridin-3-yloxymethyl)-biphen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C24H23ClN2O4S/c1-32-12-10-22(24(29)30)27-23(28)19-9-8-16(15-31-17-5-4-11-26-14-17)13-20(19)18-6-2-3-7-21(18)25/h2-9,11,13-14,22H,10,12,15H2,1H3,(H,27,28)(H,29,30)/t22-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase from bovine brain


J Med Chem 41: 4288-300 (1998)


Article DOI: 10.1021/jm980298s
BindingDB Entry DOI: 10.7270/Q20G3KTC
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


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082911
PNG
(2-({5-[(2-Cyclohexyl-1-methoxymethyl-ethylamino)-m...)
Show SMILES COC[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c1)-c1ccccc1C
Show InChI InChI=1S/C30H42N2O4S/c1-21-9-7-8-12-25(21)27-18-23(19-31-24(20-36-2)17-22-10-5-4-6-11-22)13-14-26(27)29(33)32-28(30(34)35)15-16-37-3/h7-9,12-14,18,22,24,28,31H,4-6,10-11,15-17,19-20H2,1-3H3,(H,32,33)(H,34,35)/p-1/t24-,28-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
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


(Bos taurus (bovine))
BDBM50067568
PNG
((S)-2-{[2'-Methyl-5-(pyridin-3-ylsulfanylmethyl)-b...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CSc2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C25H26N2O3S2/c1-17-6-3-4-8-20(17)22-14-18(16-32-19-7-5-12-26-15-19)9-10-21(22)24(28)27-23(25(29)30)11-13-31-2/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 0.690n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase from bovine brain


J Med Chem 41: 4288-300 (1998)


Article DOI: 10.1021/jm980298s
BindingDB Entry DOI: 10.7270/Q20G3KTC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076811
PNG
(CHEMBL10877 | Lithium; (S)-2-({5-[5-(4-chloro-phen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(Cl)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H30ClNO5S/c1-20-5-3-4-6-25(20)27-17-21(7-13-26(27)30(34)33-28(31(35)36)15-16-39-2)18-37-19-24-12-14-29(38-24)22-8-10-23(32)11-9-22/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
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