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PubMed code 10406658

Compile data set for download or QSAR
Found 7 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)


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Farnesyltransferase


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


Article DOI: 10.1016/s0960-894x(99)00287-5
BindingDB Entry DOI: 10.7270/Q29W0DQR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50078815
PNG
(1-[4-(10-Methoxy-3,8-dimethyl-6,11-dihydro-5H-benz...)
Show SMILES COc1cc(C)cc2CCc3cc(C)cnc3C(C3CCN(CC3)C(=O)Cc3cc[n+]([O-])cc3)c12
Show InChI InChI=1S/C29H33N3O3/c1-19-14-23-4-5-24-15-20(2)18-30-29(24)28(27(23)25(16-19)35-3)22-8-10-31(11-9-22)26(33)17-21-6-12-32(34)13-7-21/h6-7,12-16,18,22,28H,4-5,8-11,17H2,1-3H3
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n/an/a 34n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Farnesyltransferase


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


Article DOI: 10.1016/s0960-894x(99)00287-5
BindingDB Entry DOI: 10.7270/Q29W0DQR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50078814
PNG
(1-[4-(10-Methoxy-8-methyl-3-vinyl-6,11-dihydro-5H-...)
Show SMILES COc1cc(C)cc2CCc3cc(C=C)cnc3C(C3CCN(CC3)C(=O)Cc3cc[n+]([O-])cc3)c12
Show InChI InChI=1S/C30H33N3O3/c1-4-21-17-25-6-5-24-15-20(2)16-26(36-3)28(24)29(30(25)31-19-21)23-9-11-32(12-10-23)27(34)18-22-7-13-33(35)14-8-22/h4,7-8,13-17,19,23,29H,1,5-6,9-12,18H2,2-3H3
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n/an/a 59n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Farnesyltransferase


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


Article DOI: 10.1016/s0960-894x(99)00287-5
BindingDB Entry DOI: 10.7270/Q29W0DQR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50078818
PNG
(1-[4-(3-Ethyl-10-methoxy-8-methyl-6,11-dihydro-5H-...)
Show SMILES CCc1cnc2C(C3CCN(CC3)C(=O)Cc3cc[n+]([O-])cc3)c3c(CCc2c1)cc(C)cc3OC
Show InChI InChI=1S/C30H35N3O3/c1-4-21-17-25-6-5-24-15-20(2)16-26(36-3)28(24)29(30(25)31-19-21)23-9-11-32(12-10-23)27(34)18-22-7-13-33(35)14-8-22/h7-8,13-17,19,23,29H,4-6,9-12,18H2,1-3H3
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n/an/a 74n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Farnesyltransferase


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


Article DOI: 10.1016/s0960-894x(99)00287-5
BindingDB Entry DOI: 10.7270/Q29W0DQR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50078817
PNG
(1-[4-(10-Methoxy-8-methyl-6,11-dihydro-5H-benzo[5,...)
Show SMILES COc1cc(C)cc2CCc3cccnc3C(C3CCN(CC3)C(=O)Cc3cc[n+]([O-])cc3)c12
Show InChI InChI=1S/C28H31N3O3/c1-19-16-23-6-5-22-4-3-11-29-28(22)27(26(23)24(17-19)34-2)21-9-12-30(13-10-21)25(32)18-20-7-14-31(33)15-8-20/h3-4,7-8,11,14-17,21,27H,5-6,9-10,12-13,18H2,1-2H3
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n/an/a 140n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Farnesyltransferase


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


Article DOI: 10.1016/s0960-894x(99)00287-5
BindingDB Entry DOI: 10.7270/Q29W0DQR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50078816
PNG
(1-[4-(3-Cyclopropyl-10-methoxy-8-methyl-6,11-dihyd...)
Show SMILES COc1cc(C)cc2CCc3cc(cnc3C(C3CCN(CC3)C(=O)Cc3cc[n+]([O-])cc3)c12)C1CC1
Show InChI InChI=1S/C31H35N3O3/c1-20-15-24-5-6-25-18-26(22-3-4-22)19-32-31(25)30(29(24)27(16-20)37-2)23-9-11-33(12-10-23)28(35)17-21-7-13-34(36)14-8-21/h7-8,13-16,18-19,22-23,30H,3-6,9-12,17H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Farnesyltransferase


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


Article DOI: 10.1016/s0960-894x(99)00287-5
BindingDB Entry DOI: 10.7270/Q29W0DQR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(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 1.90E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Farnesyltransferase


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


Article DOI: 10.1016/s0960-894x(99)00287-5
BindingDB Entry DOI: 10.7270/Q29W0DQR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%