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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50013068   
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 (PFT)


(Homo sapiens (Human))
BDBM50126028
PNG
(3',5'-Dichloro-6-[3-(4-cyano-phenyl)-3-hydroxy-3-(...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1-c1cc(Cl)cc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H16Cl2N4O/c1-33-17-32-16-26(33)27(34,22-6-3-18(14-30)4-7-22)9-8-20-5-2-19(15-31)10-25(20)21-11-23(28)13-24(29)12-21/h2-7,10-13,16-17,34H,1H3
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n/an/a 0.0790n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126035
PNG
(4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C31H20N4O/c1-35-21-34-20-30(35)31(36,16-15-22-9-11-23(18-32)12-10-22)26-14-13-25(19-33)29(17-26)28-8-4-6-24-5-2-3-7-27(24)28/h2-14,17,20-21,36H,1H3
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n/an/a 0.280n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126041
PNG
(6-[3-(4-Cyano-phenyl)-3-hydroxy-3-(3-methyl-3H-imi...)
Show SMILES COc1cccc(c1)-c1cc(ccc1C#CC(O)(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H20N4O2/c1-32-19-31-18-27(32)28(33,24-10-7-20(16-29)8-11-24)13-12-22-9-6-21(17-30)14-26(22)23-4-3-5-25(15-23)34-2/h3-11,14-15,18-19,33H,1-2H3
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n/an/a 0.370n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126041
PNG
(6-[3-(4-Cyano-phenyl)-3-hydroxy-3-(3-methyl-3H-imi...)
Show SMILES COc1cccc(c1)-c1cc(ccc1C#CC(O)(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H20N4O2/c1-32-19-31-18-27(32)28(33,24-10-7-20(16-29)8-11-24)13-12-22-9-6-21(17-30)14-26(22)23-4-3-5-25(15-23)34-2/h3-11,14-15,18-19,33H,1-2H3
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n/an/a 0.370n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126033
PNG
(6-[3-(4-Cyano-phenyl)-3-hydroxy-3-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1-c1cccc(OC(F)(F)F)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H17F3N4O2/c1-35-18-34-17-26(35)27(36,23-9-6-19(15-32)7-10-23)12-11-21-8-5-20(16-33)13-25(21)22-3-2-4-24(14-22)37-28(29,30)31/h2-10,13-14,17-18,36H,1H3
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n/an/a 0.410n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126040
PNG
(6-[3-(4-Cyano-phenyl)-3-hydroxy-3-(3-methyl-3H-imi...)
Show SMILES COc1cccc(c1)-c1cc(ccc1CCC(O)(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H24N4O2/c1-32-19-31-18-27(32)28(33,24-10-7-20(16-29)8-11-24)13-12-22-9-6-21(17-30)14-26(22)23-4-3-5-25(15-23)34-2/h3-11,14-15,18-19,33H,12-13H2,1-2H3
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n/an/a 0.660n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126026
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(4-cyano-phenyl)-3-hy...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H18N4O3/c1-32-17-31-16-27(32)28(33,23-7-3-19(14-29)4-8-23)11-10-21-5-2-20(15-30)12-24(21)22-6-9-25-26(13-22)35-18-34-25/h2-9,12-13,16-17,33H,18H2,1H3
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n/an/a 0.680n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126042
PNG
(4-[3-(5-Chloro-3'-methoxy-biphenyl-2-yl)-1-hydroxy...)
Show SMILES COc1cccc(c1)-c1cc(Cl)ccc1C#CC(O)(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20ClN3O2/c1-31-18-30-17-26(31)27(32,22-9-6-19(16-29)7-10-22)13-12-20-8-11-23(28)15-25(20)21-4-3-5-24(14-21)33-2/h3-11,14-15,17-18,32H,1-2H3
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n/an/a 0.690n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126027
PNG
(4-[3-(4-Ethynyl-phenyl)-1-hydroxy-1-(3-methyl-3H-i...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1)C#C)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C32H21N3O/c1-3-23-11-13-24(14-12-23)17-18-32(36,31-21-34-22-35(31)2)27-16-15-26(20-33)30(19-27)29-10-6-8-25-7-4-5-9-28(25)29/h1,4-16,19,21-22,36H,2H3
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126043
PNG
(4-[3-(3-Amino-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1cccc(N)c1)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H22N4O/c1-34-20-33-19-29(34)30(35,15-14-21-6-4-9-25(32)16-21)24-13-12-23(18-31)28(17-24)27-11-5-8-22-7-2-3-10-26(22)27/h2-13,16-17,19-20,35H,32H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126031
PNG
(4-[3-(4-Ethyl-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES CCc1ccc(cc1)C#CC(O)(c1cncn1C)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C32H25N3O/c1-3-23-11-13-24(14-12-23)17-18-32(36,31-21-34-22-35(31)2)27-16-15-26(20-33)30(19-27)29-10-6-8-25-7-4-5-9-28(25)29/h4-16,19,21-22,36H,3H2,1-2H3
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126036
PNG
(6-[3-(4-Cyano-phenyl)-3-hydroxy-3-(3-methyl-3H-imi...)
Show SMILES CCOc1cccc(c1)-c1cc(ccc1C#CC(O)(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C29H22N4O2/c1-3-35-26-6-4-5-24(16-26)27-15-22(18-31)7-10-23(27)13-14-29(34,28-19-32-20-33(28)2)25-11-8-21(17-30)9-12-25/h4-12,15-16,19-20,34H,3H2,1-2H3
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n/an/a 0.730n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126030
PNG
(4-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-pheny...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccccc1)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H21N3O/c1-33-21-32-20-29(33)30(34,17-16-22-8-3-2-4-9-22)25-15-14-24(19-31)28(18-25)27-13-7-11-23-10-5-6-12-26(23)27/h2-15,18,20-21,34H,1H3
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n/an/a 0.800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126045
PNG
(4-[3-(4-Chloro-phenyl)-1-hydroxy-1-(3-methyl-3H-im...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(Cl)cc1)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H20ClN3O/c1-34-20-33-19-29(34)30(35,16-15-21-9-13-25(31)14-10-21)24-12-11-23(18-32)28(17-24)27-8-4-6-22-5-2-3-7-26(22)27/h2-14,17,19-20,35H,1H3
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n/an/a 0.800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126032
PNG
(5-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cc1ccccc1-c1cc(ccc1C#N)C(O)(C#Cc1ccc(cc1)C#N)c1cncn1C
Show InChI InChI=1S/C28H20N4O/c1-20-5-3-4-6-25(20)26-15-24(12-11-23(26)17-30)28(33,27-18-31-19-32(27)2)14-13-21-7-9-22(16-29)10-8-21/h3-12,15,18-19,33H,1-2H3
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n/an/a 0.840n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126037
PNG
(4-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-(6-me...)
Show SMILES Cc1ccc(cn1)C#CC(O)(c1cncn1C)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H22N4O/c1-21-10-11-22(18-33-21)14-15-30(35,29-19-32-20-34(29)2)25-13-12-24(17-31)28(16-25)27-9-5-7-23-6-3-4-8-26(23)27/h3-13,16,18-20,35H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126025
PNG
(4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2cccnc12
Show InChI InChI=1S/C30H19N5O/c1-35-20-33-19-28(35)30(36,14-13-21-7-9-22(17-31)10-8-21)25-12-11-24(18-32)27(16-25)26-6-2-4-23-5-3-15-34-29(23)26/h2-12,15-16,19-20,36H,1H3
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126034
PNG
(4-[1-Hydroxy-3-(3'-methoxy-5-pentanoyl-biphenyl-2-...)
Show SMILES CCCCC(=O)c1ccc(C#CC(O)(c2cncn2C)c2ccc(cc2)C#N)c(c1)-c1cccc(OC)c1
Show InChI InChI=1S/C32H29N3O3/c1-4-5-9-30(36)26-13-12-24(29(19-26)25-7-6-8-28(18-25)38-3)16-17-32(37,31-21-34-22-35(31)2)27-14-10-23(20-33)11-15-27/h6-8,10-15,18-19,21-22,37H,4-5,9H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126024
PNG
(4-[3-(5,3'-Dichloro-biphenyl-2-yl)-1-hydroxy-1-(3-...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(Cl)cc1-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H17Cl2N3O/c1-31-17-30-16-25(31)26(32,21-8-5-18(15-29)6-9-21)12-11-19-7-10-23(28)14-24(19)20-3-2-4-22(27)13-20/h2-10,13-14,16-17,32H,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126030
PNG
(4-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-pheny...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccccc1)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H21N3O/c1-33-21-32-20-29(33)30(34,17-16-22-8-3-2-4-9-22)25-15-14-24(19-31)28(18-25)27-13-7-11-23-10-5-6-12-26(23)27/h2-15,18,20-21,34H,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126029
PNG
(5-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-pheny...)
Show SMILES Cc1ccccc1-c1cc(ccc1C#N)C(O)(C#Cc1ccccc1)c1cncn1C
Show InChI InChI=1S/C27H21N3O/c1-20-8-6-7-11-24(20)25-16-23(13-12-22(25)17-28)27(31,26-18-29-19-30(26)2)15-14-21-9-4-3-5-10-21/h3-13,16,18-19,31H,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126044
PNG
(5-[(4-Cyano-phenyl)-hydroxy-(3-methyl-3H-imidazol-...)
Show SMILES Cc1ccccc1-c1cc(ccc1C#N)C(O)(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20N4O/c1-18-5-3-4-6-23(18)24-13-22(12-9-20(24)15-28)26(31,25-16-29-17-30(25)2)21-10-7-19(14-27)8-11-21/h3-13,16-17,31H,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126045
PNG
(4-[3-(4-Chloro-phenyl)-1-hydroxy-1-(3-methyl-3H-im...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(Cl)cc1)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H20ClN3O/c1-34-20-33-19-29(34)30(35,16-15-21-9-13-25(31)14-10-21)24-12-11-23(18-32)28(17-24)27-8-4-6-22-5-2-3-7-26(22)27/h2-14,17,19-20,35H,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126035
PNG
(4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C31H20N4O/c1-35-21-34-20-30(35)31(36,16-15-22-9-11-23(18-32)12-10-22)26-14-13-25(19-33)29(17-26)28-8-4-6-24-5-2-3-7-27(24)28/h2-14,17,20-21,36H,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126039
PNG
(4-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-(4-pe...)
Show SMILES CCCCCc1ccc(cc1)C#CC(O)(c1cncn1C)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C35H31N3O/c1-3-4-5-9-26-14-16-27(17-15-26)20-21-35(39,34-24-37-25-38(34)2)30-19-18-29(23-36)33(22-30)32-13-8-11-28-10-6-7-12-31(28)32/h6-8,10-19,22,24-25,39H,3-5,9H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126027
PNG
(4-[3-(4-Ethynyl-phenyl)-1-hydroxy-1-(3-methyl-3H-i...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1)C#C)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C32H21N3O/c1-3-23-11-13-24(14-12-23)17-18-32(36,31-21-34-22-35(31)2)27-16-15-26(20-33)30(19-27)29-10-6-8-25-7-4-5-9-28(25)29/h1,4-16,19,21-22,36H,2H3
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126031
PNG
(4-[3-(4-Ethyl-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES CCc1ccc(cc1)C#CC(O)(c1cncn1C)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C32H25N3O/c1-3-23-11-13-24(14-12-23)17-18-32(36,31-21-34-22-35(31)2)27-16-15-26(20-33)30(19-27)29-10-6-8-25-7-4-5-9-28(25)29/h4-16,19,21-22,36H,3H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126038
PNG
(5-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-pheny...)
Show SMILES Cc1ccccc1-c1cc(ccc1C#N)C(O)(CCc1ccccc1)c1cncn1C
Show InChI InChI=1S/C27H25N3O/c1-20-8-6-7-11-24(20)25-16-23(13-12-22(25)17-28)27(31,26-18-29-19-30(26)2)15-14-21-9-4-3-5-10-21/h3-13,16,18-19,31H,14-15H2,1-2H3
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126037
PNG
(4-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-(6-me...)
Show SMILES Cc1ccc(cn1)C#CC(O)(c1cncn1C)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H22N4O/c1-21-10-11-22(18-33-21)14-15-30(35,29-19-32-20-34(29)2)25-13-12-24(17-31)28(16-25)27-9-5-7-23-6-3-4-8-26(23)27/h3-13,16,18-20,35H,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126043
PNG
(4-[3-(3-Amino-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1cccc(N)c1)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H22N4O/c1-34-20-33-19-29(34)30(35,15-14-21-6-4-9-25(32)16-21)24-13-12-23(18-31)28(17-24)27-11-5-8-22-7-2-3-10-26(22)27/h2-13,16-17,19-20,35H,32H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126024
PNG
(4-[3-(5,3'-Dichloro-biphenyl-2-yl)-1-hydroxy-1-(3-...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(Cl)cc1-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H17Cl2N3O/c1-31-17-30-16-25(31)26(32,21-8-5-18(15-29)6-9-21)12-11-19-7-10-23(28)14-24(19)20-3-2-4-22(27)13-20/h2-10,13-14,16-17,32H,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126032
PNG
(5-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cc1ccccc1-c1cc(ccc1C#N)C(O)(C#Cc1ccc(cc1)C#N)c1cncn1C
Show InChI InChI=1S/C28H20N4O/c1-20-5-3-4-6-25(20)26-15-24(12-11-23(26)17-30)28(33,27-18-31-19-32(27)2)14-13-21-7-9-22(16-29)10-8-21/h3-12,15,18-19,33H,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126029
PNG
(5-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-pheny...)
Show SMILES Cc1ccccc1-c1cc(ccc1C#N)C(O)(C#Cc1ccccc1)c1cncn1C
Show InChI InChI=1S/C27H21N3O/c1-20-8-6-7-11-24(20)25-16-23(13-12-22(25)17-28)27(31,26-18-29-19-30(26)2)15-14-21-9-4-3-5-10-21/h3-13,16,18-19,31H,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126039
PNG
(4-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-(4-pe...)
Show SMILES CCCCCc1ccc(cc1)C#CC(O)(c1cncn1C)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C35H31N3O/c1-3-4-5-9-26-14-16-27(17-15-26)20-21-35(39,34-24-37-25-38(34)2)30-19-18-29(23-36)33(22-30)32-13-8-11-28-10-6-7-12-31(28)32/h6-8,10-19,22,24-25,39H,3-5,9H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126033
PNG
(6-[3-(4-Cyano-phenyl)-3-hydroxy-3-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1-c1cccc(OC(F)(F)F)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H17F3N4O2/c1-35-18-34-17-26(35)27(36,23-9-6-19(15-32)7-10-23)12-11-21-8-5-20(16-33)13-25(21)22-3-2-4-24(14-22)37-28(29,30)31/h2-10,13-14,17-18,36H,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126042
PNG
(4-[3-(5-Chloro-3'-methoxy-biphenyl-2-yl)-1-hydroxy...)
Show SMILES COc1cccc(c1)-c1cc(Cl)ccc1C#CC(O)(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20ClN3O2/c1-31-18-30-17-26(31)27(32,22-9-6-19(16-29)7-10-22)13-12-20-8-11-23(28)15-25(20)21-4-3-5-24(14-21)33-2/h3-11,14-15,17-18,32H,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126040
PNG
(6-[3-(4-Cyano-phenyl)-3-hydroxy-3-(3-methyl-3H-imi...)
Show SMILES COc1cccc(c1)-c1cc(ccc1CCC(O)(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H24N4O2/c1-32-19-31-18-27(32)28(33,24-10-7-20(16-29)8-11-24)13-12-22-9-6-21(17-30)14-26(22)23-4-3-5-25(15-23)34-2/h3-11,14-15,18-19,33H,12-13H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126028
PNG
(3',5'-Dichloro-6-[3-(4-cyano-phenyl)-3-hydroxy-3-(...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1-c1cc(Cl)cc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H16Cl2N4O/c1-33-17-32-16-26(33)27(34,22-6-3-18(14-30)4-7-22)9-8-20-5-2-19(15-31)10-25(20)21-11-23(28)13-24(29)12-21/h2-7,10-13,16-17,34H,1H3
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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 human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126044
PNG
(5-[(4-Cyano-phenyl)-hydroxy-(3-methyl-3H-imidazol-...)
Show SMILES Cc1ccccc1-c1cc(ccc1C#N)C(O)(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20N4O/c1-18-5-3-4-6-23(18)24-13-22(12-9-20(24)15-28)26(31,25-16-29-17-30(25)2)21-10-7-19(14-27)8-11-21/h3-13,16-17,31H,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126038
PNG
(5-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-pheny...)
Show SMILES Cc1ccccc1-c1cc(ccc1C#N)C(O)(CCc1ccccc1)c1cncn1C
Show InChI InChI=1S/C27H25N3O/c1-20-8-6-7-11-24(20)25-16-23(13-12-22(25)17-28)27(31,26-18-29-19-30(26)2)15-14-21-9-4-3-5-10-21/h3-13,16,18-19,31H,14-15H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126036
PNG
(6-[3-(4-Cyano-phenyl)-3-hydroxy-3-(3-methyl-3H-imi...)
Show SMILES CCOc1cccc(c1)-c1cc(ccc1C#CC(O)(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C29H22N4O2/c1-3-35-26-6-4-5-24(16-26)27-15-22(18-31)7-10-23(27)13-14-29(34,28-19-32-20-33(28)2)25-11-8-21(17-30)9-12-25/h4-12,15-16,19-20,34H,3H2,1-2H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126041
PNG
(6-[3-(4-Cyano-phenyl)-3-hydroxy-3-(3-methyl-3H-imi...)
Show SMILES COc1cccc(c1)-c1cc(ccc1C#CC(O)(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H20N4O2/c1-32-19-31-18-27(32)28(33,24-10-7-20(16-29)8-11-24)13-12-22-9-6-21(17-30)14-26(22)23-4-3-5-25(15-23)34-2/h3-11,14-15,18-19,33H,1-2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126041
PNG
(6-[3-(4-Cyano-phenyl)-3-hydroxy-3-(3-methyl-3H-imi...)
Show SMILES COc1cccc(c1)-c1cc(ccc1C#CC(O)(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H20N4O2/c1-32-19-31-18-27(32)28(33,24-10-7-20(16-29)8-11-24)13-12-22-9-6-21(17-30)14-26(22)23-4-3-5-25(15-23)34-2/h3-11,14-15,18-19,33H,1-2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126026
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(4-cyano-phenyl)-3-hy...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H18N4O3/c1-32-17-31-16-27(32)28(33,23-7-3-19(14-29)4-8-23)11-10-21-5-2-20(15-30)12-24(21)22-6-9-25-26(13-22)35-18-34-25/h2-9,12-13,16-17,33H,18H2,1H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126034
PNG
(4-[1-Hydroxy-3-(3'-methoxy-5-pentanoyl-biphenyl-2-...)
Show SMILES CCCCC(=O)c1ccc(C#CC(O)(c2cncn2C)c2ccc(cc2)C#N)c(c1)-c1cccc(OC)c1
Show InChI InChI=1S/C32H29N3O3/c1-4-5-9-30(36)26-13-12-24(29(19-26)25-7-6-8-28(18-25)38-3)16-17-32(37,31-21-34-22-35(31)2)27-14-10-23(20-33)11-15-27/h6-8,10-15,18-19,21-22,37H,4-5,9H2,1-3H3
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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 human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126025
PNG
(4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2cccnc12
Show InChI InChI=1S/C30H19N5O/c1-35-20-33-19-28(35)30(36,14-13-21-7-9-22(17-31)10-8-21)25-12-11-24(18-32)27(16-25)26-6-2-4-23-5-3-15-34-29(23)26/h2-12,15-16,19-20,36H,1H3
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n/an/a 8.30E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126041
PNG
(6-[3-(4-Cyano-phenyl)-3-hydroxy-3-(3-methyl-3H-imi...)
Show SMILES COc1cccc(c1)-c1cc(ccc1C#CC(O)(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H20N4O2/c1-32-19-31-18-27(32)28(33,24-10-7-20(16-29)8-11-24)13-12-22-9-6-21(17-30)14-26(22)23-4-3-5-25(15-23)34-2/h3-11,14-15,18-19,33H,1-2H3
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n/an/an/an/a 2.70n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of farnesylation in NIH-3T3H-ras cell line


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126024
PNG
(4-[3-(5,3'-Dichloro-biphenyl-2-yl)-1-hydroxy-1-(3-...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(Cl)cc1-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H17Cl2N3O/c1-31-17-30-16-25(31)26(32,21-8-5-18(15-29)6-9-21)12-11-19-7-10-23(28)14-24(19)20-3-2-4-22(27)13-20/h2-10,13-14,16-17,32H,1H3
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n/an/an/an/a 100n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of farnesylation in NIH-3T3H-ras cell line


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126039
PNG
(4-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-(4-pe...)
Show SMILES CCCCCc1ccc(cc1)C#CC(O)(c1cncn1C)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C35H31N3O/c1-3-4-5-9-26-14-16-27(17-15-26)20-21-35(39,34-24-37-25-38(34)2)30-19-18-29(23-36)33(22-30)32-13-8-11-28-10-6-7-12-31(28)32/h6-8,10-19,22,24-25,39H,3-5,9H2,1-2H3
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n/an/an/an/a 3.80n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of farnesylation in NIH-3T3H-ras cell line


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126026
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(4-cyano-phenyl)-3-hy...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H18N4O3/c1-32-17-31-16-27(32)28(33,23-7-3-19(14-29)4-8-23)11-10-21-5-2-20(15-30)12-24(21)22-6-9-25-26(13-22)35-18-34-25/h2-9,12-13,16-17,33H,18H2,1H3
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n/an/an/an/a 1.40n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of farnesylation in NIH-3T3H-ras cell line


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
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