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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha' and Ligand = 'BDBM50098002'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50098002
PNG
(CHEMBL355551 | N-Isopropyl-2-(1-methyl-2-phenyl-1H...)
Show SMILES CC(C)N(Cc1ccncc1)C(=O)Cc1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C26H27N3O/c1-19(2)29(18-20-13-15-27-16-14-20)25(30)17-23-22-11-7-8-12-24(22)28(3)26(23)21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for the inhibitory activity against human Farnesyltransferase


Bioorg Med Chem Lett 11: 865-9 (2001)


BindingDB Entry DOI: 10.7270/Q2F47PPX
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50098002
PNG
(CHEMBL355551 | N-Isopropyl-2-(1-methyl-2-phenyl-1H...)
Show SMILES CC(C)N(Cc1ccncc1)C(=O)Cc1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C26H27N3O/c1-19(2)29(18-20-13-15-27-16-14-20)25(30)17-23-22-11-7-8-12-24(22)28(3)26(23)21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3
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n/an/an/an/a 1.80E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of K-Ras farnesylation in PSN-1 cells with 100 nM GGT1


Bioorg Med Chem Lett 11: 865-9 (2001)


BindingDB Entry DOI: 10.7270/Q2F47PPX
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50098002
PNG
(CHEMBL355551 | N-Isopropyl-2-(1-methyl-2-phenyl-1H...)
Show SMILES CC(C)N(Cc1ccncc1)C(=O)Cc1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C26H27N3O/c1-19(2)29(18-20-13-15-27-16-14-20)25(30)17-23-22-11-7-8-12-24(22)28(3)26(23)21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDJ-2 farnesylation in PSN-1 cells with 100 nM GGT1


Bioorg Med Chem Lett 11: 865-9 (2001)


BindingDB Entry DOI: 10.7270/Q2F47PPX
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50098002
PNG
(CHEMBL355551 | N-Isopropyl-2-(1-methyl-2-phenyl-1H...)
Show SMILES CC(C)N(Cc1ccncc1)C(=O)Cc1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C26H27N3O/c1-19(2)29(18-20-13-15-27-16-14-20)25(30)17-23-22-11-7-8-12-24(22)28(3)26(23)21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3
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n/an/an/an/a 1.33E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDJ-2 farnesylation in PSN-1 cells


Bioorg Med Chem Lett 11: 865-9 (2001)


BindingDB Entry DOI: 10.7270/Q2F47PPX
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50098002
PNG
(CHEMBL355551 | N-Isopropyl-2-(1-methyl-2-phenyl-1H...)
Show SMILES CC(C)N(Cc1ccncc1)C(=O)Cc1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C26H27N3O/c1-19(2)29(18-20-13-15-27-16-14-20)25(30)17-23-22-11-7-8-12-24(22)28(3)26(23)21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of K-Ras farnesylation in PSN-1 cells without GGT1


Bioorg Med Chem Lett 11: 865-9 (2001)


BindingDB Entry DOI: 10.7270/Q2F47PPX
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50098002
PNG
(CHEMBL355551 | N-Isopropyl-2-(1-methyl-2-phenyl-1H...)
Show SMILES CC(C)N(Cc1ccncc1)C(=O)Cc1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C26H27N3O/c1-19(2)29(18-20-13-15-27-16-14-20)25(30)17-23-22-11-7-8-12-24(22)28(3)26(23)21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3
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n/an/an/an/a 1.98E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDJ-2 farnesylation in PSN-1 cells at without GGT1


Bioorg Med Chem Lett 11: 865-9 (2001)


BindingDB Entry DOI: 10.7270/Q2F47PPX
More data for this
Ligand-Target Pair