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PubMed code 12190309

Compile data set for download or QSAR
Found 14 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 (PFT) Chain B


(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
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
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT) Chain B


(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
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 2n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50117937
PNG
((+)4-(2-{4-[9-bromo-4-chloro-1-methyl-(12R)-3,6,7,...)
Show SMILES Cc1c[nH]c2c(Cl)cc3CCc4cc(Br)cnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12
Show InChI InChI=1S/C29H28BrClN4O2/c1-17-15-32-29-23(31)14-20-2-3-21-13-22(30)16-33-28(21)27(26(20)25(17)29)19-6-8-34(9-7-19)24(36)12-18-4-10-35(37)11-5-18/h4-5,10-11,13-16,19,27,32H,2-3,6-9,12H2,1H3/t27-/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 Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50117932
PNG
((+/-)4-{2-[4-(9-bromo-4-chloro-1-methyl-3,6,7,12-t...)
Show SMILES Cc1c[nH]c2c(Cl)cc3CCc4cc(Br)cnc4C(=C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12
Show InChI InChI=1S/C29H26BrClN4O2/c1-17-15-32-29-23(31)14-20-2-3-21-13-22(30)16-33-28(21)27(26(20)25(17)29)19-6-8-34(9-7-19)24(36)12-18-4-10-35(37)11-5-18/h4-5,10-11,13-16,32H,2-3,6-9,12H2,1H3
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n/an/a 5.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50117931
PNG
((-)4-(2-{4-[4-chloro-1-methyl-(12R)-3,6,7,12-tetra...)
Show SMILES Cc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12
Show InChI InChI=1S/C29H29ClN4O2/c1-18-17-32-29-23(30)16-22-5-4-21-3-2-10-31-28(21)27(26(22)25(18)29)20-8-11-33(12-9-20)24(35)15-19-6-13-34(36)14-7-19/h2-3,6-7,10,13-14,16-17,20,27,32H,4-5,8-9,11-12,15H2,1H3/t27-/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50117933
PNG
((+)1-[4-(10-Bromo-8-chloro-6,11-dihydro-5H-benzo[5...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@H]2c3ncccc3CCc3cc(Cl)cc(Br)c23)cc1
Show InChI InChI=1S/C26H25BrClN3O2/c27-22-16-21(28)15-20-4-3-19-2-1-9-29-26(19)25(24(20)22)18-7-10-30(11-8-18)23(32)14-17-5-12-31(33)13-6-17/h1-2,5-6,9,12-13,15-16,18,25H,3-4,7-8,10-11,14H2/t25-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50117931
PNG
((-)4-(2-{4-[4-chloro-1-methyl-(12R)-3,6,7,12-tetra...)
Show SMILES Cc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12
Show InChI InChI=1S/C29H29ClN4O2/c1-18-17-32-29-23(30)16-22-5-4-21-3-2-10-31-28(21)27(26(22)25(18)29)20-8-11-33(12-9-20)24(35)15-19-6-13-34(36)14-7-19/h2-3,6-7,10,13-14,16-17,20,27,32H,4-5,8-9,11-12,15H2,1H3/t27-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50117939
PNG
((+)1-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc23)cc1
Show InChI InChI=1S/C26H25BrClN3O2/c27-21-14-20-2-1-19-15-22(28)3-4-23(19)25(26(20)29-16-21)18-7-9-30(10-8-18)24(32)13-17-5-11-31(33)12-6-17/h3-6,11-12,14-16,18,25H,1-2,7-10,13H2/t25-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50117935
PNG
((+)4-{2-[4-(4-chloro-3,6,7,12-tetrahydropyrido[2',...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)C2c3ncccc3CCc3cc(Cl)c4[nH]ccc4c23)cc1
Show InChI InChI=1S/C28H27ClN4O2/c29-23-17-21-4-3-20-2-1-10-30-27(20)26(25(21)22-5-11-31-28(22)23)19-8-12-32(13-9-19)24(34)16-18-6-14-33(35)15-7-18/h1-2,5-7,10-11,14-15,17,19,26,31H,3-4,8-9,12-13,16H2
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n/an/a 42n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50117936
PNG
((+)4-(2-{4-[4-chloro-1-propyl-(12R)-3,6,7,12-tetra...)
Show SMILES CCCc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12
Show InChI InChI=1S/C31H33ClN4O2/c1-2-4-24-19-34-31-25(32)18-23-7-6-22-5-3-12-33-30(22)28(27(23)29(24)31)21-10-13-35(14-11-21)26(37)17-20-8-15-36(38)16-9-20/h3,5,8-9,12,15-16,18-19,21,28,34H,2,4,6-7,10-11,13-14,17H2,1H3/t28-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50117938
PNG
((+)4-(2-{4-[1-butyl-4-chloro-(12R)-3,6,7,12-tetrah...)
Show SMILES CCCCc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12
Show InChI InChI=1S/C32H35ClN4O2/c1-2-3-5-25-20-35-32-26(33)19-24-8-7-23-6-4-13-34-31(23)29(28(24)30(25)32)22-11-14-36(15-12-22)27(38)18-21-9-16-37(39)17-10-21/h4,6,9-10,13,16-17,19-20,22,29,35H,2-3,5,7-8,11-12,14-15,18H2,1H3/t29-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50117938
PNG
((+)4-(2-{4-[1-butyl-4-chloro-(12R)-3,6,7,12-tetrah...)
Show SMILES CCCCc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12
Show InChI InChI=1S/C32H35ClN4O2/c1-2-3-5-25-20-35-32-26(33)19-24-8-7-23-6-4-13-34-31(23)29(28(24)30(25)32)22-11-14-36(15-12-22)27(38)18-21-9-16-37(39)17-10-21/h4,6,9-10,13,16-17,19-20,22,29,35H,2-3,5,7-8,11-12,14-15,18H2,1H3/t29-/m1/s1
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n/an/a>180n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50117934
PNG
((+ )1-[4-(4-chloro-1,3-dimethyl-3,6,7,12-tetrahydr...)
Show SMILES Cc1cn(C)c2c(Cl)cc3CCc4cccnc4C(C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12
Show InChI InChI=1S/C30H31ClN4O2/c1-19-18-33(2)30-24(31)17-23-6-5-22-4-3-11-32-29(22)28(27(23)26(19)30)21-9-12-34(13-10-21)25(36)16-20-7-14-35(37)15-8-20/h3-4,7-8,11,14-15,17-18,21,28H,5-6,9-10,12-13,16H2,1-2H3
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n/an/a>190n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50117936
PNG
((+)4-(2-{4-[4-chloro-1-propyl-(12R)-3,6,7,12-tetra...)
Show SMILES CCCc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12
Show InChI InChI=1S/C31H33ClN4O2/c1-2-4-24-19-34-31-25(32)18-23-7-6-22-5-3-12-33-30(22)28(27(23)29(24)31)21-10-13-35(14-11-21)26(37)17-20-8-15-36(38)16-9-20/h3,5,8-9,12,15-16,18-19,21,28,34H,2,4,6-7,10-11,13-14,17H2,1H3/t28-/m1/s1
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n/an/a>190n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


Article DOI: 10.1021/jm010463v
BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%