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PubMed code 15454228

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50126335
PNG
(6-[(R)-Amino-(4-chloro-phenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1ccnc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H22Cl2N4O/c1-32-13-12-31-26(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(15-19)22(16-25(34)33(24)2)17-4-3-5-21(29)14-17/h3-16H,30H2,1-2H3
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n/an/a 0.650n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine farnesyltransferase (FTase)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50153770
PNG
(1-(3-Chloro-phenyl)-6-({[3-(4-cyano-benzyl)-3H-imi...)
Show SMILES Clc1cccc(c1)-n1cc(C#N)c(=O)cc1CNCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H19ClN6O/c26-21-2-1-3-22(8-21)32-16-20(11-28)25(33)9-23(32)12-29-13-24-14-30-17-31(24)15-19-6-4-18(10-27)5-7-19/h1-9,14,16-17,29H,12-13,15H2
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n/an/a 7.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine farnesyltransferase (FTase)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
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 8.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine farnesyltransferase (FTase)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50153771
PNG
(1-(3-Chloro-phenyl)-7-[(4-chloro-phenyl)-hydroxy-(...)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(cc(C#N)c2=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H18Cl2N4O2/c1-32-16-31-14-25(32)27(35,18-5-8-20(28)9-6-18)19-7-10-23-24(11-19)33(15-17(13-30)26(23)34)22-4-2-3-21(29)12-22/h2-12,14-16,35H,1H3
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine farnesyltransferase (FTase)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50153768
PNG
(1-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1cc(=O)c(cn1-c1cccc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H18ClN5O2/c1-30-16-29-13-23(30)25(18-7-5-17(11-27)6-8-18)33-15-22-10-24(32)19(12-28)14-31(22)21-4-2-3-20(26)9-21/h2-10,13-14,16,25H,15H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine farnesyltransferase (FTase)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50153769
PNG
(5-(3-Chloro-phenyl)-6-({[3-(4-cyano-benzyl)-3H-imi...)
Show SMILES Cn1c(CNCc2cncn2Cc2ccc(cc2)C#N)c(cc(C#N)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H21ClN6O/c1-32-25(24(10-21(12-29)26(32)34)20-3-2-4-22(27)9-20)15-30-13-23-14-31-17-33(23)16-19-7-5-18(11-28)6-8-19/h2-10,14,17,30H,13,15-16H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine farnesyltransferase (FTase)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50153772
PNG
(CHEMBL184113 | N-[1-(3-Chloro-phenyl)-5-cyano-4-ox...)
Show SMILES CS(=O)(=O)N(Cc1cncn1Cc1ccc(cc1)C#N)Cc1cc(=O)c(cn1-c1cccc(Cl)c1)C#N
Show InChI InChI=1S/C26H21ClN6O3S/c1-37(35,36)32(17-25-13-30-18-31(25)14-20-7-5-19(11-28)6-8-20)16-24-10-26(34)21(12-29)15-33(24)23-4-2-3-22(27)9-23/h2-10,13,15,18H,14,16-17H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine farnesyltransferase (FTase)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50153773
PNG
(4-(3-Chloro-phenyl)-1-methyl-6-oxo-1,6-dihydro-pyr...)
Show SMILES Cn1cncc1C(NC(=O)c1cn(C)c(=O)cc1-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H20ClN5O2/c1-30-14-21(20(11-23(30)32)18-4-3-5-19(26)10-18)25(33)29-24(22-13-28-15-31(22)2)17-8-6-16(12-27)7-9-17/h3-11,13-15,24H,1-2H3,(H,29,33)
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n/an/a 685n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine farnesyltransferase (FTase)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50126335
PNG
(6-[(R)-Amino-(4-chloro-phenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1ccnc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H22Cl2N4O/c1-32-13-12-31-26(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(15-19)22(16-25(34)33(24)2)17-4-3-5-21(29)14-17/h3-16H,30H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine geranylgeranyltransferase (GGT)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50153769
PNG
(5-(3-Chloro-phenyl)-6-({[3-(4-cyano-benzyl)-3H-imi...)
Show SMILES Cn1c(CNCc2cncn2Cc2ccc(cc2)C#N)c(cc(C#N)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H21ClN6O/c1-32-25(24(10-21(12-29)26(32)34)20-3-2-4-22(27)9-20)15-30-13-23-14-31-17-33(23)16-19-7-5-18(11-28)6-8-19/h2-10,14,17,30H,13,15-16H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine geranylgeranyltransferase (GGT)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50153768
PNG
(1-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1cc(=O)c(cn1-c1cccc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H18ClN5O2/c1-30-16-29-13-23(30)25(18-7-5-17(11-27)6-8-18)33-15-22-10-24(32)19(12-28)14-31(22)21-4-2-3-20(26)9-21/h2-10,13-14,16,25H,15H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine geranylgeranyltransferase (GGT)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50153770
PNG
(1-(3-Chloro-phenyl)-6-({[3-(4-cyano-benzyl)-3H-imi...)
Show SMILES Clc1cccc(c1)-n1cc(C#N)c(=O)cc1CNCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H19ClN6O/c26-21-2-1-3-22(8-21)32-16-20(11-28)25(33)9-23(32)12-29-13-24-14-30-17-31(24)15-19-6-4-18(10-27)5-7-19/h1-9,14,16-17,29H,12-13,15H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine geranylgeranyltransferase (GGT)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
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>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine geranylgeranyltransferase (GGT)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50153771
PNG
(1-(3-Chloro-phenyl)-7-[(4-chloro-phenyl)-hydroxy-(...)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(cc(C#N)c2=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H18Cl2N4O2/c1-32-16-31-14-25(32)27(35,18-5-8-20(28)9-6-18)19-7-10-23-24(11-19)33(15-17(13-30)26(23)34)22-4-2-3-21(29)12-22/h2-12,14-16,35H,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine geranylgeranyltransferase (GGT)


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50126335
PNG
(6-[(R)-Amino-(4-chloro-phenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1ccnc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H22Cl2N4O/c1-32-13-12-31-26(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(15-19)22(16-25(34)33(24)2)17-4-3-5-21(29)14-17/h3-16H,30H2,1-2H3
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n/an/an/an/a 1.60n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Ras farnesylation in H-Ras transformed NIH3T3 cells


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50153769
PNG
(5-(3-Chloro-phenyl)-6-({[3-(4-cyano-benzyl)-3H-imi...)
Show SMILES Cn1c(CNCc2cncn2Cc2ccc(cc2)C#N)c(cc(C#N)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H21ClN6O/c1-32-25(24(10-21(12-29)26(32)34)20-3-2-4-22(27)9-20)15-30-13-23-14-31-17-33(23)16-19-7-5-18(11-28)6-8-19/h2-10,14,17,30H,13,15-16H2,1H3
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n/an/an/an/a 21n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Ras farnesylation in H-Ras transformed NIH3T3 cells at 100 nM


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
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/an/an/a 100n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Ras farnesylation in H-Ras transformed NIH3T3 cells


Bioorg Med Chem Lett 14: 5367-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.012
BindingDB Entry DOI: 10.7270/Q2NS0TC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%