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Compile Data Set for Download or QSAR

Found 497 hits with Last Name = 'bishop' and Initial = 'wr'   
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))
BDBM50289150
PNG
(Acetic acid (7E,11E)-(1S,2R,4R,14S,15R)-4,8,12-tri...)
Show SMILES CC(=O)O[C@H]1C\C(C)=C\CC\C(C)=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |t:7,12|
Show InChI InChI=1S/C22H30O5/c1-13-8-6-9-14(2)12-17(25-16(4)23)18-15(3)21(24)26-19(18)20-22(5,27-20)11-7-10-13/h9-10,17-20H,3,6-8,11-12H2,1-2,4-5H3/b13-10+,14-9+/t17-,18+,19-,20+,22+/m0/s1
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170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic parameter for inihibiton of farnesyl protein transferase


Bioorg Med Chem Lett 6: 909-912 (1996)


Article DOI: 10.1016/0960-894X(96)00142-4
BindingDB Entry DOI: 10.7270/Q2VT1S3W
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079090
PNG
(CHEMBL90435 | [(4-{2-[4-((R)-3,10-Dibromo-8-chloro...)
Show SMILES OC(=O)CNC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C29H33Br2ClN4O4/c30-21-12-20-2-1-19-13-22(32)14-23(31)26(19)27(28(20)33-15-21)18-5-9-35(10-6-18)24(37)11-17-3-7-36(8-4-17)29(40)34-16-25(38)39/h12-15,17-18,27H,1-11,16H2,(H,34,40)(H,38,39)/t27-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079085
PNG
(5-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro...)
Show SMILES OC(=O)c1cncc(c1)C(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C33H33Br2ClN4O4/c34-25-13-22-2-1-21-14-26(36)15-27(35)29(21)30(31(22)38-18-25)20-5-9-39(10-6-20)28(41)11-19-3-7-40(8-4-19)32(42)23-12-24(33(43)44)17-37-16-23/h12-20,30H,1-11H2,(H,43,44)/t30-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079075
PNG
(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H...)
Show SMILES NC(=O)CNC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C29H34Br2ClN5O3/c30-21-12-20-2-1-19-13-22(32)14-23(31)26(19)27(28(20)34-15-21)18-5-9-36(10-6-18)25(39)11-17-3-7-37(8-4-17)29(40)35-16-24(33)38/h12-15,17-18,27H,1-11,16H2,(H2,33,38)(H,35,40)/t27-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into His6-H-Ras-CVLS by farnesyl transferase


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14457
PNG
((+)-4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)cc1 |r|
Show InChI InChI=1S/C26H24Br2ClN3O2/c27-20-12-19-2-1-18-13-21(29)14-22(28)24(18)25(26(19)30-15-20)17-5-7-31(8-6-17)23(33)11-16-3-9-32(34)10-4-16/h3-4,9-10,12-15,17,25H,1-2,5-8,11H2/t25-/m1/s1
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n/an/a 1.30n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporate...


J Med Chem 41: 4890-902 (1998)


Article DOI: 10.1021/jm980462b
BindingDB Entry DOI: 10.7270/Q2ZS2TRS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109870
PNG
(4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo...)
Show SMILES [O-][n+]1cccc(CNC(=NC#N)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)c1 |w:9.9|
Show InChI InChI=1S/C27H25Br2ClN6O/c28-21-10-20-4-3-19-11-22(30)12-23(29)24(19)25(26(20)32-14-21)18-5-8-35(9-6-18)27(34-16-31)33-13-17-2-1-7-36(37)15-17/h1-2,7,10-12,14-15,18,25H,3-6,8-9,13H2,(H,33,34)/t25-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
FPT inhibitory activity was determined by the ability of the compound to inhibit the transfer of [3H]-farnesyl from farnesyl pyrophosphate to H-ras-C...


Bioorg Med Chem Lett 12: 601-5 (2002)


BindingDB Entry DOI: 10.7270/Q2FF3RPB
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14461
PNG
((+)-4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)cc1 |r|
Show InChI InChI=1S/C25H23Br2ClN4O2/c26-19-12-18-2-1-17-13-20(28)14-21(27)23(17)25(24(18)29-15-19)31-9-7-30(8-10-31)22(33)11-16-3-5-32(34)6-4-16/h3-6,12-15,25H,1-2,7-11H2/t25-/m1/s1
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n/an/a 1.80n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporate...


J Med Chem 41: 4890-902 (1998)


Article DOI: 10.1021/jm980462b
BindingDB Entry DOI: 10.7270/Q2ZS2TRS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079079
PNG
(1-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro...)
Show SMILES Clc1cc(Br)c2[C@@H](C3CCN(CC3)C(=O)CC3CCN(CC3)C(=O)Cn3cncn3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C30H33Br2ClN6O2/c31-23-12-22-2-1-21-13-24(33)14-25(32)28(21)29(30(22)35-15-23)20-5-9-37(10-6-20)26(40)11-19-3-7-38(8-4-19)27(41)16-39-18-34-17-36-39/h12-15,17-20,29H,1-11,16H2/t29-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079074
PNG
(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H...)
Show SMILES CNC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C28H33Br2ClN4O2/c1-32-28(37)35-8-4-17(5-9-35)12-24(36)34-10-6-18(7-11-34)26-25-19(14-22(31)15-23(25)30)2-3-20-13-21(29)16-33-27(20)26/h13-18,26H,2-12H2,1H3,(H,32,37)/t26-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM14459
PNG
((+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H...)
Show SMILES NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 |r|
Show InChI InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14459
PNG
((+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H...)
Show SMILES NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 |r|
Show InChI InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1
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n/an/a 1.90n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporate...


J Med Chem 41: 4890-902 (1998)


Article DOI: 10.1021/jm980462b
BindingDB Entry DOI: 10.7270/Q2ZS2TRS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079084
PNG
(CHEMBL432573 | [(4-{2-[4-((R)-3,10-Dibromo-8-chlor...)
Show SMILES CCOC(=O)CNC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C31H37Br2ClN4O4/c1-2-42-27(40)18-36-31(41)38-9-5-19(6-10-38)13-26(39)37-11-7-20(8-12-37)29-28-21(15-24(34)16-25(28)33)3-4-22-14-23(32)17-35-30(22)29/h14-17,19-20,29H,2-13,18H2,1H3,(H,36,41)/t29-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079089
PNG
(1-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-be...)
Show SMILES CS(=O)(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C27H32Br2ClN3O3S/c1-37(35,36)33-10-4-17(5-11-33)12-24(34)32-8-6-18(7-9-32)26-25-19(14-22(30)15-23(25)29)2-3-20-13-21(28)16-31-27(20)26/h13-18,26H,2-12H2,1H3/t26-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079091
PNG
(2-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro...)
Show SMILES NC(=O)CN1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C28H33Br2ClN4O2/c29-21-12-20-2-1-19-13-22(31)14-23(30)26(19)27(28(20)33-15-21)18-5-9-35(10-6-18)25(37)11-17-3-7-34(8-4-17)16-24(32)36/h12-15,17-18,27H,1-11,16H2,(H2,32,36)/t27-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into His6-H-Ras-CVLS by farnesyl transferase


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079073
PNG
(2-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro...)
Show SMILES CN(C)C(=O)C(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C30H35Br2ClN4O3/c1-35(2)29(39)30(40)37-9-5-18(6-10-37)13-25(38)36-11-7-19(8-12-36)27-26-20(15-23(33)16-24(26)32)3-4-21-14-22(31)17-34-28(21)27/h14-19,27H,3-13H2,1-2H3/t27-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079083
PNG
(1-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-be...)
Show SMILES [O-][n+]1cccc(c1)C(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C32H33Br2ClN4O3/c33-25-15-23-4-3-22-16-26(35)17-27(34)29(22)30(31(23)36-18-25)21-7-12-37(13-8-21)28(40)14-20-5-10-38(11-6-20)32(41)24-2-1-9-39(42)19-24/h1-2,9,15-21,30H,3-8,10-14H2/t30-/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Hras Farnesyl protein transferase(FPT)


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079076
PNG
(5-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro...)
Show SMILES NC(=O)c1cncc(c1)C(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C33H34Br2ClN5O3/c34-25-13-22-2-1-21-14-26(36)15-27(35)29(21)30(31(22)39-18-25)20-5-9-40(10-6-20)28(42)11-19-3-7-41(8-4-19)33(44)24-12-23(32(37)43)16-38-17-24/h12-20,30H,1-11H2,(H2,37,43)/t30-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14473
PNG
((-)-1-(8-Chloro-3,7-dibromo-6,11-dihydro-5H-benzo-...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)cc1 |r|
Show InChI InChI=1S/C25H23Br2ClN4O2/c26-18-14-17-1-2-19-20(3-4-21(28)23(19)27)25(24(17)29-15-18)31-11-9-30(10-12-31)22(33)13-16-5-7-32(34)8-6-16/h3-8,14-15,25H,1-2,9-13H2/t25-/m0/s1
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n/an/a 2.30n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporate...


J Med Chem 41: 4890-902 (1998)


Article DOI: 10.1021/jm980462b
BindingDB Entry DOI: 10.7270/Q2ZS2TRS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079070
PNG
(1-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-be...)
Show SMILES [O-][n+]1ccc(cc1)C(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C32H33Br2ClN4O3/c33-25-16-24-2-1-23-17-26(35)18-27(34)29(23)30(31(24)36-19-25)21-5-11-37(12-6-21)28(40)15-20-3-9-38(10-4-20)32(41)22-7-13-39(42)14-8-22/h7-8,13-14,16-21,30H,1-6,9-12,15H2/t30-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Hras Farnesyl protein transferase(FPT)


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14467
PNG
((+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H...)
Show SMILES NC(=O)N1CCC(CC(=O)N2CCN(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 |r|
Show InChI InChI=1S/C26H30Br2ClN5O2/c27-19-12-18-2-1-17-13-20(29)14-21(28)23(17)25(24(18)31-15-19)33-9-7-32(8-10-33)22(35)11-16-3-5-34(6-4-16)26(30)36/h12-16,25H,1-11H2,(H2,30,36)/t25-/m1/s1
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n/an/a 2.5n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporate...


J Med Chem 41: 4890-902 (1998)


Article DOI: 10.1021/jm980462b
BindingDB Entry DOI: 10.7270/Q2ZS2TRS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14469
PNG
((-)-4-(8-Chloro-3,7-dibromo-6,11-dihydro-5H-benzo-...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)cc1 |r|
Show InChI InChI=1S/C26H24Br2ClN3O2/c27-19-14-18-1-2-21-20(3-4-22(29)25(21)28)24(26(18)30-15-19)17-7-9-31(10-8-17)23(33)13-16-5-11-32(34)12-6-16/h3-6,11-12,14-15,17,24H,1-2,7-10,13H2/t24-/m0/s1
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n/an/a 2.60n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporate...


J Med Chem 41: 4890-902 (1998)


Article DOI: 10.1021/jm980462b
BindingDB Entry DOI: 10.7270/Q2ZS2TRS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079086
PNG
(3-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro...)
Show SMILES Clc1cc(Br)c2[C@@H](C3CCN(CC3)C(=O)CC3CCN(CC3)C(=O)CC#N)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C29H31Br2ClN4O2/c30-22-14-21-2-1-20-15-23(32)16-24(31)27(20)28(29(21)34-17-22)19-6-11-36(12-7-19)26(38)13-18-4-9-35(10-5-18)25(37)3-8-33/h14-19,28H,1-7,9-13H2/t28-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Hras Farnesyl protein transferase(FPT)


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079077
PNG
(2-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro...)
Show SMILES NC(=O)C(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C28H31Br2ClN4O3/c29-20-12-19-2-1-18-13-21(31)14-22(30)24(18)25(26(19)33-15-20)17-5-9-34(10-6-17)23(36)11-16-3-7-35(8-4-16)28(38)27(32)37/h12-17,25H,1-11H2,(H2,32,37)/t25-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14477
PNG
((-)-4-[2-[4-(3,7-Dibromo-8-chloro-6,11-dihydro-5Hb...)
Show SMILES NC(=O)N1CCC(CC(=O)N2CCN(CC2)[C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)CC1 |r|
Show InChI InChI=1S/C26H30Br2ClN5O2/c27-18-14-17-1-2-19-20(3-4-21(29)23(19)28)25(24(17)31-15-18)33-11-9-32(10-12-33)22(35)13-16-5-7-34(8-6-16)26(30)36/h3-4,14-16,25H,1-2,5-13H2,(H2,30,36)/t25-/m0/s1
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n/an/a 3.10n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporate...


J Med Chem 41: 4890-902 (1998)


Article DOI: 10.1021/jm980462b
BindingDB Entry DOI: 10.7270/Q2ZS2TRS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079072
PNG
(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H...)
Show SMILES NS(=O)(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C26H31Br2ClN4O3S/c27-20-12-19-2-1-18-13-21(29)14-22(28)24(18)25(26(19)31-15-20)17-5-7-32(8-6-17)23(34)11-16-3-9-33(10-4-16)37(30,35)36/h12-17,25H,1-11H2,(H2,30,35,36)/t25-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50078819
PNG
(1-[4-((R)-3-Bromo-10-methoxy-8-methyl-6,11-dihydro...)
Show SMILES COc1cc(C)cc2CCc3cc(Br)cnc3[C@H](C3CCN(CC3)C(=O)Cc3cc[n+]([O-])cc3)c12
Show InChI InChI=1S/C28H30BrN3O3/c1-18-13-21-3-4-22-16-23(29)17-30-28(22)27(26(21)24(14-18)35-2)20-7-9-31(10-8-20)25(33)15-19-5-11-32(34)12-6-19/h5-6,11-14,16-17,20,27H,3-4,7-10,15H2,1-2H3/t27-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Farnesyltransferase


Bioorg Med Chem Lett 9: 1875-80 (1999)


BindingDB Entry DOI: 10.7270/Q29W0DQR
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14463
PNG
((+)-4-(3-Bromo-8,10-dichloro-6,11-dihydro-5H-benzo...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Cl)c23)cc1 |r|
Show InChI InChI=1S/C25H23BrCl2N4O2/c26-19-12-18-2-1-17-13-20(27)14-21(28)23(17)25(24(18)29-15-19)31-9-7-30(8-10-31)22(33)11-16-3-5-32(34)6-4-16/h3-6,12-15,25H,1-2,7-11H2/t25-/m1/s1
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n/an/a<3.80n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporate...


J Med Chem 41: 4890-902 (1998)


Article DOI: 10.1021/jm980462b
BindingDB Entry DOI: 10.7270/Q2ZS2TRS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079088
PNG
(1-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro...)
Show SMILES Clc1cc(Br)c2[C@@H](C3CCN(CC3)C(=O)CC3CCN(CC3)C(=O)Cn3cccc3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H35Br2ClN4O2/c33-25-16-24-4-3-23-17-26(35)18-27(34)30(23)31(32(24)36-19-25)22-7-13-38(14-8-22)28(40)15-21-5-11-39(12-6-21)29(41)20-37-9-1-2-10-37/h1-2,9-10,16-19,21-22,31H,3-8,11-15,20H2/t31-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079081
PNG
(2-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro...)
Show SMILES CCN(CC)C(=O)CN1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C32H41Br2ClN4O2/c1-3-38(4-2)29(41)20-37-11-7-21(8-12-37)15-28(40)39-13-9-22(10-14-39)31-30-23(17-26(35)18-27(30)34)5-6-24-16-25(33)19-36-32(24)31/h16-19,21-22,31H,3-15,20H2,1-2H3/t31-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into His6-H-Ras-CVLS by farnesyl transferase


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14471
PNG
((-)-4-[2-[4-(3,7-Dibromo-8-chloro-6,11-dihydro-5H-...)
Show SMILES NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)CC1 |r|
Show InChI InChI=1S/C27H31Br2ClN4O2/c28-19-14-18-1-2-21-20(3-4-22(30)25(21)29)24(26(18)32-15-19)17-7-11-33(12-8-17)23(35)13-16-5-9-34(10-6-16)27(31)36/h3-4,14-17,24H,1-2,5-13H2,(H2,31,36)/t24-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporate...


J Med Chem 41: 4890-902 (1998)


Article DOI: 10.1021/jm980462b
BindingDB Entry DOI: 10.7270/Q2ZS2TRS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079092
PNG
((S)-2-Amino-1-(4-{2-[4-((R)-3,10-dibromo-8-chloro-...)
Show SMILES C[C@H](N)C(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C29H35Br2ClN4O2/c1-17(33)29(38)36-8-4-18(5-9-36)12-25(37)35-10-6-19(7-11-35)27-26-20(14-23(32)15-24(26)31)2-3-21-13-22(30)16-34-28(21)27/h13-19,27H,2-12,33H2,1H3/t17-,27+/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079080
PNG
(1-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-be...)
Show SMILES Clc1cc(Br)c2[C@@H](C3CCN(CC3)C(=O)CC3CCN(CC(=O)N4CCOCC4)CC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39Br2ClN4O3/c33-25-16-24-2-1-23-17-26(35)18-27(34)30(23)31(32(24)36-19-25)22-5-9-38(10-6-22)28(40)15-21-3-7-37(8-4-21)20-29(41)39-11-13-42-14-12-39/h16-19,21-22,31H,1-15,20H2/t31-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into His6-H-Ras-CVLS by farnesyl transferase


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079087
PNG
(2-[1-(2-Amino-acetyl)-piperidin-4-yl]-1-[4-((R)-3,...)
Show SMILES NCC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C28H33Br2ClN4O2/c29-21-12-20-2-1-19-13-22(31)14-23(30)26(19)27(28(20)33-16-21)18-5-9-34(10-6-18)24(36)11-17-3-7-35(8-4-17)25(37)15-32/h12-14,16-18,27H,1-11,15,32H2/t27-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109858
PNG
(4-({[4-(3-Bromo-8-chloro-5,6-dihydro-benzo[5,6]cyc...)
Show SMILES [#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#7]-[#6](=[#7]C#N)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2/c3ccc(Cl)cc3-[#6]-[#6]-c3cc(Br)cnc-23)-[#6]-[#6]-1 |w:10.10|
Show InChI InChI=1S/C28H31BrClN7O/c29-22-13-21-2-1-20-14-23(30)3-4-24(20)25(26(21)33-16-22)19-7-11-37(12-8-19)28(35-17-31)34-15-18-5-9-36(10-6-18)27(32)38/h3-4,13-14,16,18H,1-2,5-12,15H2,(H2,32,38)(H,34,35)
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n/an/a 6n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
FPT inhibitory activity was determined by the ability of the compound to inhibit the transfer of [3H]-farnesyl from farnesyl pyrophosphate to H-ras-C...


Bioorg Med Chem Lett 12: 601-5 (2002)


BindingDB Entry DOI: 10.7270/Q2FF3RPB
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14475
PNG
((-)-1-(3-Bromo-7,8-dichloro-6,11-dihydro-5H-benzo-...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@H]2c3ccc(Cl)c(Cl)c3CCc3cc(Br)cnc23)cc1 |r|
Show InChI InChI=1S/C25H23BrCl2N4O2/c26-18-14-17-1-2-19-20(3-4-21(27)23(19)28)25(24(17)29-15-18)31-11-9-30(10-12-31)22(33)13-16-5-7-32(34)8-6-16/h3-8,14-15,25H,1-2,9-13H2/t25-/m0/s1
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n/an/a 6n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporate...


J Med Chem 41: 4890-902 (1998)


Article DOI: 10.1021/jm980462b
BindingDB Entry DOI: 10.7270/Q2ZS2TRS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109872
PNG
(4-(3-Bromo-8-chloro-5,6-dihydro-benzo[5,6]cyclohep...)
Show SMILES [#8-]-[n+]1ccc(-[#6]-[#7]-[#6](=[#7]C#N)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2/c3ccc(Cl)cc3-[#6]-[#6]-c3cc(Br)cnc-23)cc1 |w:8.8|
Show InChI InChI=1S/C27H24BrClN6O/c28-22-13-21-2-1-20-14-23(29)3-4-24(20)25(26(21)31-16-22)19-7-9-34(10-8-19)27(33-17-30)32-15-18-5-11-35(36)12-6-18/h3-6,11-14,16H,1-2,7-10,15H2,(H,32,33)
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n/an/a 6n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
FPT inhibitory activity was determined by the ability of the compound to inhibit the transfer of [3H]-farnesyl from farnesyl pyrophosphate to H-ras-C...


Bioorg Med Chem Lett 12: 601-5 (2002)


BindingDB Entry DOI: 10.7270/Q2FF3RPB
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079091
PNG
(2-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro...)
Show SMILES NC(=O)CN1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C28H33Br2ClN4O2/c29-21-12-20-2-1-19-13-22(31)14-23(30)26(19)27(28(20)33-15-21)18-5-9-35(10-6-18)25(37)11-17-3-7-34(8-4-17)16-24(32)36/h12-15,17-18,27H,1-11,16H2,(H2,32,36)/t27-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Effect on Ras processing in Cos-1 monkey kidney cells expressing either H-Ras-Val 12-CVLS or H-Ras-Val12.


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50177643
PNG
((R)-[8-chloro-6-(1-piperazinyl)-1H-benzo[5,6]]cycl...)
Show SMILES CS(=O)(=O)N1CCC(CC1)[C@@H]1c2ccc(Cl)cc2C(=Cc2cccnc12)N1CCNCC1 |c:20|
Show InChI InChI=1S/C24H29ClN4O2S/c1-32(30,31)29-11-6-17(7-12-29)23-20-5-4-19(25)16-21(20)22(28-13-9-26-10-14-28)15-18-3-2-8-27-24(18)23/h2-5,8,15-17,23,26H,6-7,9-14H2,1H3/t23-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase activity


Bioorg Med Chem Lett 16: 984-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.090
BindingDB Entry DOI: 10.7270/Q24T6HZ5
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079083
PNG
(1-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-be...)
Show SMILES [O-][n+]1cccc(c1)C(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C32H33Br2ClN4O3/c33-25-15-23-4-3-22-16-26(35)17-27(34)29(22)30(31(23)36-18-25)21-7-12-37(13-8-21)28(40)14-20-5-10-38(11-6-20)32(41)24-2-1-9-39(42)19-24/h1-2,9,15-21,30H,3-8,10-14H2/t30-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Effect on Ras processing in Cos-1 monkey kidney cells expressing either H-Ras-Val 12-CVLS or H-Ras-Val12.


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079071
PNG
(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H...)
Show SMILES CN(C)S(=O)(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C28H35Br2ClN4O3S/c1-33(2)39(37,38)35-11-5-18(6-12-35)13-25(36)34-9-7-19(8-10-34)27-26-20(15-23(31)16-24(26)30)3-4-21-14-22(29)17-32-28(21)27/h14-19,27H,3-13H2,1-2H3/t27-/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into His6-H-Ras-CVLS by farnesyl transferase


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079078
PNG
((R)-2-Amino-1-(4-{2-[4-((R)-3,10-dibromo-8-chloro-...)
Show SMILES C[C@@H](N)C(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C29H35Br2ClN4O2/c1-17(33)29(38)36-8-4-18(5-9-36)12-25(37)35-10-6-19(7-11-35)27-26-20(14-23(32)15-24(26)31)2-3-21-13-22(30)16-34-28(21)27/h13-19,27H,2-12,33H2,1H3/t17-,27-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109878
PNG
(1-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-be...)
Show SMILES [O-][n+]1cccc(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)c1
Show InChI InChI=1S/C26H24Br2ClN3O2/c27-20-11-19-4-3-18-12-21(29)13-22(28)24(18)25(26(19)30-14-20)17-5-8-31(9-6-17)23(33)10-16-2-1-7-32(34)15-16/h1-2,7,11-15,17,25H,3-6,8-10H2/t25-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
FPT inhibitory activity was determined by the ability of the compound to inhibit the transfer of [3H]-farnesyl from farnesyl pyrophosphate to H-ras-C...


Bioorg Med Chem Lett 12: 601-5 (2002)


BindingDB Entry DOI: 10.7270/Q2FF3RPB
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079074
PNG
(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H...)
Show SMILES CNC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C28H33Br2ClN4O2/c1-32-28(37)35-8-4-17(5-9-35)12-24(36)34-10-6-18(7-11-34)26-25-19(14-22(31)15-23(25)30)2-3-20-13-21(29)16-33-27(20)26/h13-18,26H,2-12H2,1H3,(H,32,37)/t26-/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Effect on Ras processing in Cos-1 monkey kidney cells expressing either H-Ras-Val 12-CVLS or H-Ras-Val12.


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079088
PNG
(1-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro...)
Show SMILES Clc1cc(Br)c2[C@@H](C3CCN(CC3)C(=O)CC3CCN(CC3)C(=O)Cn3cccc3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H35Br2ClN4O2/c33-25-16-24-4-3-23-17-26(35)18-27(34)30(23)31(32(24)36-19-25)22-7-13-38(14-8-22)28(40)15-21-5-11-39(12-6-21)29(41)20-37-9-1-2-10-37/h1-2,9-10,16-19,21-22,31H,3-8,11-15,20H2/t31-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Effect on Ras processing in Cos-1 monkey kidney cells expressing either H-Ras-Val 12-CVLS or H-Ras-Val12.


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079071
PNG
(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H...)
Show SMILES CN(C)S(=O)(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C28H35Br2ClN4O3S/c1-33(2)39(37,38)35-11-5-18(6-12-35)13-25(36)34-9-7-19(8-10-34)27-26-20(15-23(31)16-24(26)30)3-4-21-14-22(29)17-32-28(21)27/h14-19,27H,3-13H2,1-2H3/t27-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Effect on Ras processing in Cos-1 monkey kidney cells expressing either H-Ras-Val 12-CVLS or H-Ras-Val12.


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079070
PNG
(1-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-be...)
Show SMILES [O-][n+]1ccc(cc1)C(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C32H33Br2ClN4O3/c33-25-16-24-2-1-23-17-26(35)18-27(34)29(23)30(31(24)36-19-25)21-5-11-37(12-6-21)28(40)15-20-3-9-38(10-4-20)32(41)22-7-13-39(42)14-8-22/h7-8,13-14,16-21,30H,1-6,9-12,15H2/t30-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Effect on Ras processing in Cos-1 monkey kidney cells expressing either H-Ras-Val 12-CVLS or H-Ras-Val12.


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM14459
PNG
((+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H...)
Show SMILES NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 |r|
Show InChI InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Effect on Ras processing in Cos-1 monkey kidney cells expressing either H-Ras-Val 12-CVLS or H-Ras-Val12.


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50079073
PNG
(2-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro...)
Show SMILES CN(C)C(=O)C(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C30H35Br2ClN4O3/c1-35(2)29(39)30(40)37-9-5-18(6-10-37)13-25(38)36-11-7-19(8-12-36)27-26-20(15-23(33)16-24(26)32)3-4-21-14-22(31)17-34-28(21)27/h14-19,27H,3-13H2,1-2H3/t27-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Effect on Ras processing in Cos-1 monkey kidney cells expressing either H-Ras-Val 12-CVLS or H-Ras-Val12.


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50063416
PNG
(1-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]c...)
Show SMILES Clc1ccc2C(N3CCN(CC3)C(=O)Cc3ccncc3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C25H24BrClN4O/c26-20-14-19-2-1-18-15-21(27)3-4-22(18)25(24(19)29-16-20)31-11-9-30(10-12-31)23(32)13-17-5-7-28-8-6-17/h3-8,14-16,25H,1-2,9-13H2
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n/an/a 12n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene


J Med Chem 41: 877-93 (1998)


Article DOI: 10.1021/jm970462w
BindingDB Entry DOI: 10.7270/Q2M61JDN
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50109871
PNG
(4-(3-Bromo-8-chloro-5,6-dihydro-benzo[5,6]cyclohep...)
Show SMILES [#8-]-[n+]1cccc(-[#6]-[#7]-[#6](=[#7]C#N)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cc(Br)cnc-23)c1 |w:9.9|
Show InChI InChI=1S/C27H24BrClN6O/c28-22-12-21-4-3-20-13-23(29)5-6-24(20)25(26(21)31-15-22)19-7-10-34(11-8-19)27(33-17-30)32-14-18-2-1-9-35(36)16-18/h1-2,5-6,9,12-13,15-16H,3-4,7-8,10-11,14H2,(H,32,33)
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n/an/a 12n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
FPT inhibitory activity was determined by the ability of the compound to inhibit the transfer of [3H]-farnesyl from farnesyl pyrophosphate to H-ras-C...


Bioorg Med Chem Lett 12: 601-5 (2002)


BindingDB Entry DOI: 10.7270/Q2FF3RPB
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Ligand-Target Pair
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