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Compile Data Set for Download or QSAR

Found 3101 hits Enz. Inhib. hit(s) with Target = 'Protein Farnesyltransferase (PFT)'   
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))
BDBM50076811
PNG
(CHEMBL10877 | Lithium; (S)-2-({5-[5-(4-chloro-phen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(Cl)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H30ClNO5S/c1-20-5-3-4-6-25(20)27-17-21(7-13-26(27)30(34)33-28(31(35)36)15-16-39-2)18-37-19-24-12-14-29(38-24)22-8-10-23(32)11-9-22/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
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/an/an/a 0.100n/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)


Article DOI: 10.1016/s0960-894x(03)00122-7
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/an/an/a<0.100n/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)


Article DOI: 10.1016/s0960-894x(03)00122-7
BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50143596
PNG
(30-oxo-(1R,5R)-19-oxa-2,6,10,12-tetraazahexacyclo[...)
Show SMILES O=C1C2CCN1[C@@H]1CCCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C26H25N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h4-7,10-11,13,16,23-24,29H,1-3,8-9,14-15H2/t23?,24-/m1/s1
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n/an/an/an/a 0.180n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HDJ2 farnesylation in PSN-1 cells


J Med Chem 47: 1869-78 (2004)


Article DOI: 10.1021/jm0305467
BindingDB Entry DOI: 10.7270/Q2RX9CVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076808
PNG
(CHEMBL10762 | Lithium; (S)-2-{[2'-methyl-5-(5-pyri...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccccn2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C30H30N2O5S/c1-20-7-3-4-8-23(20)25-17-21(10-12-24(25)29(33)32-27(30(34)35)14-16-38-2)18-36-19-22-11-13-28(37-22)26-9-5-6-15-31-26/h3-13,15,17,27H,14,16,18-19H2,1-2H3,(H,32,33)(H,34,35)/p-1/t27-/m0/s1
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n/an/an/an/a>0.300n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076802
PNG
(CHEMBL10912 | Lithium; (S)-2-{[2'-methyl-5-(5-pyri...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccncc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C30H30N2O5S/c1-20-5-3-4-6-24(20)26-17-21(7-9-25(26)29(33)32-27(30(34)35)13-16-38-2)18-36-19-23-8-10-28(37-23)22-11-14-31-15-12-22/h3-12,14-15,17,27H,13,16,18-19H2,1-2H3,(H,32,33)(H,34,35)/p-1/t27-/m0/s1
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n/an/an/an/a>0.300n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076790
PNG
(CHEMBL10902 | Lithium; (S)-2-{[2'-methyl-5-(5-pyri...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2cccnc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C30H30N2O5S/c1-20-6-3-4-8-24(20)26-16-21(9-11-25(26)29(33)32-27(30(34)35)13-15-38-2)18-36-19-23-10-12-28(37-23)22-7-5-14-31-17-22/h3-12,14,16-17,27H,13,15,18-19H2,1-2H3,(H,32,33)(H,34,35)/p-1/t27-/m0/s1
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n/an/an/an/a 0.300n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135353
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20ClN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
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n/an/an/an/a 0.5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076794
PNG
(CHEMBL276602 | Lithium; (S)-2-({5-[5-(4-isopropyl-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)C(C)C)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C34H37NO5S/c1-22(2)25-10-12-26(13-11-25)32-16-14-27(40-32)21-39-20-24-9-15-29(30(19-24)28-8-6-5-7-23(28)3)33(36)35-31(34(37)38)17-18-41-4/h5-16,19,22,31H,17-18,20-21H2,1-4H3,(H,35,36)(H,37,38)/p-1/t31-/m0/s1
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n/an/an/an/a 0.780n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135372
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES CCOc1cccc(c1)-c1cc(C#N)c(=O)n(C)c1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H25N5O3/c1-4-35-23-7-5-6-21(12-23)24-13-22(15-30)28(34)33(3)26(24)17-36-27(25-16-31-18-32(25)2)20-10-8-19(14-29)9-11-20/h5-13,16,18,27H,4,17H2,1-3H3
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n/an/an/an/a 0.810n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130378
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CCC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@](C)(N)c2cncn2C)c1
Show InChI InChI=1S/C29H35N5O2/c1-5-13-29(14-6-7-15-33(3)27(29)35)23-9-8-10-24(16-23)36-25-17-22(12-11-21(25)18-30)28(2,31)26-19-32-20-34(26)4/h8-12,16-17,19-20H,5-7,13-15,31H2,1-4H3/t28-,29-/m0/s1
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n/an/an/an/a 0.900n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hDJ2 protein farnesylation


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076795
PNG
(CHEMBL11210 | Lithium; (S)-2-({5-[5-(4-dimethylami...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)N(C)C)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C33H36N2O5S/c1-22-7-5-6-8-27(22)29-19-23(9-15-28(29)32(36)34-30(33(37)38)17-18-41-4)20-39-21-26-14-16-31(40-26)24-10-12-25(13-11-24)35(2)3/h5-16,19,30H,17-18,20-21H2,1-4H3,(H,34,36)(H,37,38)/p-1/t30-/m0/s1
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n/an/an/an/a 0.900n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
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/an/an/a<1n/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)


Article DOI: 10.1016/s0960-894x(03)00122-7
BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076803
PNG
(CHEMBL10970 | Lithium; (S)-2-({5-[5-(2-fluoro-phen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccccc2F)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H30FNO5S/c1-20-7-3-4-8-23(20)26-17-21(11-13-24(26)30(34)33-28(31(35)36)15-16-39-2)18-37-19-22-12-14-29(38-22)25-9-5-6-10-27(25)32/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
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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Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(03)00122-7
BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076807
PNG
(CHEMBL273721 | Lithium; (S)-2-({5-[5-(3-methoxy-ph...)
Show SMILES COc1cccc(c1)-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1
Show InChI InChI=1S/C32H33NO6S/c1-21-7-4-5-10-26(21)28-17-22(11-13-27(28)31(34)33-29(32(35)36)15-16-40-3)19-38-20-25-12-14-30(39-25)23-8-6-9-24(18-23)37-2/h4-14,17-18,29H,15-16,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t29-/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
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/an/an/a<1n/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)


Article DOI: 10.1016/s0960-894x(03)00122-7
BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076813
PNG
(CHEMBL10687 | Lithium; (S)-2-({5-[5-(2-methoxy-phe...)
Show SMILES COc1ccccc1-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1
Show InChI InChI=1S/C32H33NO6S/c1-21-8-4-5-9-24(21)27-18-22(12-14-25(27)31(34)33-28(32(35)36)16-17-40-3)19-38-20-23-13-15-30(39-23)26-10-6-7-11-29(26)37-2/h4-15,18,28H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076809
PNG
(CHEMBL417606 | Lithium; (S)-2-({5-[5-(4-formyl-phe...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(C=O)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H31NO6S/c1-21-5-3-4-6-26(21)28-17-23(9-13-27(28)31(35)33-29(32(36)37)15-16-40-2)19-38-20-25-12-14-30(39-25)24-10-7-22(18-34)8-11-24/h3-14,17-18,29H,15-16,19-20H2,1-2H3,(H,33,35)(H,36,37)/p-1/t29-/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076806
PNG
(CHEMBL273265 | Lithium; (S)-2-({5-[5-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1
Show InChI InChI=1S/C32H33NO6S/c1-21-6-4-5-7-26(21)28-18-22(8-14-27(28)31(34)33-29(32(35)36)16-17-40-3)19-38-20-25-13-15-30(39-25)23-9-11-24(37-2)12-10-23/h4-15,18,29H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t29-/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076797
PNG
(CHEMBL10955 | Lithium; (S)-2-{[2'-methyl-5-(5-phen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccccc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H31NO5S/c1-21-8-6-7-11-25(21)27-18-22(12-14-26(27)30(33)32-28(31(34)35)16-17-38-2)19-36-20-24-13-15-29(37-24)23-9-4-3-5-10-23/h3-15,18,28H,16-17,19-20H2,1-2H3,(H,32,33)(H,34,35)/p-1/t28-/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076800
PNG
(CHEMBL430307 | Lithium; (S)-2-({5-[5-(4-acetyl-phe...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)C(C)=O)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C33H33NO6S/c1-21-6-4-5-7-27(21)29-18-23(8-14-28(29)32(36)34-30(33(37)38)16-17-41-3)19-39-20-26-13-15-31(40-26)25-11-9-24(10-12-25)22(2)35/h4-15,18,30H,16-17,19-20H2,1-3H3,(H,34,36)(H,37,38)/p-1/t30-/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076810
PNG
(CHEMBL428001 | Lithium; (S)-4-methylsulfanyl-2-({2...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)C(F)(F)F)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H30F3NO5S/c1-20-5-3-4-6-25(20)27-17-21(7-13-26(27)30(37)36-28(31(38)39)15-16-42-2)18-40-19-24-12-14-29(41-24)22-8-10-23(11-9-22)32(33,34)35/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,36,37)(H,38,39)/p-1/t28-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
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/an/an/a 1.20n/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)


Article DOI: 10.1016/s0960-894x(03)00122-7
BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135379
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(Cl)ccc1Cl)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-21(9-18(12-30)26(34)33(24)2)20-10-19(27)7-8-22(20)28/h3-10,13,15,25H,14H2,1-2H3
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n/an/an/an/a 1.20n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT); Not active


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
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)


Article DOI: 10.1016/s0960-894x(03)00122-7
BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130372
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CN1CCCC[C@@](CC2CC2)(c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O
Show InChI InChI=1S/C30H35N5O2/c1-29(32,27-19-33-20-35(27)3)23-12-11-22(18-31)26(16-23)37-25-8-6-7-24(15-25)30(17-21-9-10-21)13-4-5-14-34(2)28(30)36/h6-8,11-12,15-16,19-21H,4-5,9-10,13-14,17,32H2,1-3H3/t29-,30+/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hDJ2 protein farnesylation


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076798
PNG
(CHEMBL273697 | Lithium; (S)-2-({5-[5-(4-fluoro-phe...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(F)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H30FNO5S/c1-20-5-3-4-6-25(20)27-17-21(7-13-26(27)30(34)33-28(31(35)36)15-16-39-2)18-37-19-24-12-14-29(38-24)22-8-10-23(32)11-9-22/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50076791
PNG
(CHEMBL10990 | Lithium; (S)-4-methylsulfanyl-2-{[2'...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(C)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H33NO5S/c1-21-8-11-24(12-9-21)30-15-13-25(38-30)20-37-19-23-10-14-27(28(18-23)26-7-5-4-6-22(26)2)31(34)33-29(32(35)36)16-17-39-3/h4-15,18,29H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t29-/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


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


Article DOI: 10.1016/s0960-894x(99)00144-4
BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135367
PNG
(5-Benzo[1,3]dioxol-5-yl-6-[(4-cyano-phenyl)-(3-met...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc2OCOc2c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H21N5O4/c1-31-15-30-13-22(31)26(18-5-3-17(11-28)4-6-18)34-14-23-21(9-20(12-29)27(33)32(23)2)19-7-8-24-25(10-19)36-16-35-24/h3-10,13,15,26H,14,16H2,1-2H3
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n/an/an/an/a 2.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135378
PNG
(5-(3-Bromo-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Br)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20BrN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
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n/an/an/an/a 2.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
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)


Article DOI: 10.1016/s0960-894x(03)00122-7
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 human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


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


Article DOI: 10.1016/s0960-894x(03)00122-7
BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135364
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES CCn1c(COC(c2cncn2C)c2ccc(cc2)C#N)c(cc(C#N)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H22ClN5O2/c1-3-33-25(23(12-21(14-30)27(33)34)20-5-4-6-22(28)11-20)16-35-26(24-15-31-17-32(24)2)19-9-7-18(13-29)8-10-19/h4-12,15,17,26H,3,16H2,1-2H3
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n/an/an/an/a 2.90n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130365
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CN1CCCC[C@@](CCC(F)(F)F)(c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O
Show InChI InChI=1S/C29H32F3N5O2/c1-27(34,25-18-35-19-37(25)3)21-10-9-20(17-33)24(16-21)39-23-8-6-7-22(15-23)28(12-13-29(30,31)32)11-4-5-14-36(2)26(28)38/h6-10,15-16,18-19H,4-5,11-14,34H2,1-3H3/t27-,28+/m0/s1
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n/an/an/an/a 3.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hDJ2 protein farnesylation


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
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)


Article DOI: 10.1016/s0960-894x(03)00122-7
BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135377
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20F3N5O3/c1-34-16-33-14-23(34)25(19-5-3-17(12-31)4-6-19)37-15-24-22(11-20(13-32)26(36)35(24)2)18-7-9-21(10-8-18)38-27(28,29)30/h3-11,14,16,25H,15H2,1-2H3
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n/an/an/an/a 3.90n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135361
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(OC(F)(F)F)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20F3N5O3/c1-34-16-33-14-23(34)25(18-8-6-17(12-31)7-9-18)37-15-24-22(11-20(13-32)26(36)35(24)2)19-4-3-5-21(10-19)38-27(28,29)30/h3-11,14,16,25H,15H2,1-2H3
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n/an/an/an/a 3.90n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
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/an/an/a 3.90n/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)


Article DOI: 10.1016/s0960-894x(03)00122-7
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/an/an/a 4n/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)


Article DOI: 10.1016/s0960-894x(03)00122-7
BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130373
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CCCC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@](C)(N)c2cncn2C)c1
Show InChI InChI=1S/C30H37N5O2/c1-5-6-14-30(15-7-8-16-34(3)28(30)36)24-10-9-11-25(17-24)37-26-18-23(13-12-22(26)19-31)29(2,32)27-20-33-21-35(27)4/h9-13,17-18,20-21H,5-8,14-16,32H2,1-4H3/t29-,30-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hDJ2 protein farnesylation


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135391
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES COc1cccc(c1)-c1cc(C#N)c(=O)n(C)c1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H23N5O3/c1-31-17-30-15-24(31)26(19-9-7-18(13-28)8-10-19)35-16-25-23(12-21(14-29)27(33)32(25)2)20-5-4-6-22(11-20)34-3/h4-12,15,17,26H,16H2,1-3H3
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PubMed
n/an/an/an/a 4.70n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135389
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1CC1CC1)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H24ClN5O2/c1-34-18-33-15-26(34)28(21-9-7-19(13-31)8-10-21)37-17-27-25(22-3-2-4-24(30)11-22)12-23(14-32)29(36)35(27)16-20-5-6-20/h2-4,7-12,15,18,20,28H,5-6,16-17H2,1H3
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n/an/an/an/a 4.80n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50127315
PNG
(6-[(4-Cyano-3-naphthalen-1-yl-phenyl)-(3-methyl-3H...)
Show SMILES Cn1cncc1C(OCc1ccc(cn1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C29H21N5O/c1-34-19-32-17-28(34)29(35-18-24-12-9-20(14-30)16-33-24)22-10-11-23(15-31)27(13-22)26-8-4-6-21-5-2-3-7-25(21)26/h2-13,16-17,19,29H,18H2,1H3
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n/an/an/an/a 5.90n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135383
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-22(9-19(12-30)26(34)33(24)2)18-7-20(27)10-21(28)8-18/h3-10,13,15,25H,14H2,1-2H3
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n/an/an/an/a 6.80n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50112383
PNG
(17-(5,5,5-trifluoropentyl)-19-oxa-2,5,10,12-tetraa...)
Show SMILES FC(F)(F)CCCCc1ccc2Cn3cncc3CCN3CCN(C(=O)C3)c3cccc4ccc(Oc1c2)cc34
Show InChI InChI=1S/C31H31F3N4O2/c32-31(33,34)12-2-1-4-24-8-7-22-16-29(24)40-26-10-9-23-5-3-6-28(27(23)17-26)38-15-14-36(20-30(38)39)13-11-25-18-35-21-37(25)19-22/h3,5-10,16-18,21H,1-2,4,11-15,19-20H2
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n/an/an/an/a 6.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDJ2 farnesylation in PSN-1 cells


Bioorg Med Chem Lett 12: 1269-73 (2002)


Article DOI: 10.1016/s0960-894x(02)00154-3
BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50135394
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(F)cc(F)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19F2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-22(9-19(12-30)26(34)33(24)2)18-7-20(27)10-21(28)8-18/h3-10,13,15,25H,14H2,1-2H3
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n/an/an/an/a 7.30n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
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/an/an/a 7.90n/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)


Article DOI: 10.1016/s0960-894x(03)00122-7
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/an/an/a 9.5n/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)


Article DOI: 10.1016/s0960-894x(03)00122-7
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/an/an/a 9.80n/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)


Article DOI: 10.1016/s0960-894x(03)00122-7
BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
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