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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50115911   
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))
BDBM50115911
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES CCOc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C26H29N5O3/c1-2-33-25-6-4-3-5-23(25)19-34-26(32)30-13-11-29(12-14-30)18-24-16-28-20-31(24)17-22-9-7-21(15-27)8-10-22/h3-10,16,20H,2,11-14,17-19H2,1H3
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PubMed
n/an/a 0.320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


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


BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50115911
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES CCOc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C26H29N5O3/c1-2-33-25-6-4-3-5-23(25)19-34-26(32)30-13-11-29(12-14-30)18-24-16-28-20-31(24)17-22-9-7-21(15-27)8-10-22/h3-10,16,20H,2,11-14,17-19H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitor of Farnesyl protein transferase(FTPase) required to reduce radiolabel [1-3H] incorporation by 50%


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


BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50115911
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES CCOc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C26H29N5O3/c1-2-33-25-6-4-3-5-23(25)19-34-26(32)30-13-11-29(12-14-30)18-24-16-28-20-31(24)17-22-9-7-21(15-27)8-10-22/h3-10,16,20H,2,11-14,17-19H2,1H3
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PubMed
n/an/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The concentration required to displace 50% of a highly potent radiolabeled FPTase inhibitor


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


BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair