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Found 5 hits Enz. Inhib. hit(s) with Target = 'Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha' and Ligand = 'BDBM50097071'   
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
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50097071
PNG
(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
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n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Geranylgeranyl transferase type I incorporation of [3H]-GGPP into biotinylated peptide corresponding to the C-terminus of human K...


Bioorg Med Chem Lett 14: 639-43 (2004)


BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50097071
PNG
(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
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Article
PubMed
n/an/a 98n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human GGTase1 in human Burkitt lymphoma (Daudi) cell supernatant using [3H]geranylgeranyl


Medchemcomm 4: 476-492 (2013)


Article DOI: 10.1039/c2md20299a
BindingDB Entry DOI: 10.7270/Q2HD7ZN5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50097071
PNG
(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
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n/an/a 99n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of geranyl-geranylation of the C-terminal CAAX sequence of Rap 1a in PSN-1 cells


Bioorg Med Chem Lett 12: 2027-30 (2002)


BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50097071
PNG
(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
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PubMed
n/an/a 9.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50097071
PNG
(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
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Article
PubMed
n/an/an/an/a 6.80E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranyl transferase type I


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
3D
3D Structure (crystal)