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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha' and Ligand = 'BDBM50115921'   
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))
BDBM50115921
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES Cc1cccc(COC(=O)N2CCN(Cc3cncn3Cc3ccc(cc3)C#N)CC2)c1
Show InChI InChI=1S/C25H27N5O2/c1-20-3-2-4-23(13-20)18-32-25(31)29-11-9-28(10-12-29)17-24-15-27-19-30(24)16-22-7-5-21(14-26)6-8-22/h2-8,13,15,19H,9-12,16-18H2,1H3
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PC cid
PC sid
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PubMed
n/an/a 34n/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))
BDBM50115921
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES Cc1cccc(COC(=O)N2CCN(Cc3cncn3Cc3ccc(cc3)C#N)CC2)c1
Show InChI InChI=1S/C25H27N5O2/c1-20-3-2-4-23(13-20)18-32-25(31)29-11-9-28(10-12-29)17-24-15-27-19-30(24)16-22-7-5-21(14-26)6-8-22/h2-8,13,15,19H,9-12,16-18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 166n/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