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BDBM50134559 4-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-3-(4-nitro-phenylethynyl)-benzonitrile::CHEMBL340122

SMILES: Cn1cncc1C(OCc1ccc(cc1C#Cc1ccc(cc1)[N+]([O-])=O)C#N)c1ccc(cc1)C#N

InChI Key: InChIKey=ITOOXSJDSBTQNY-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50134559   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134559
PNG
(4-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1C#Cc1ccc(cc1)[N+]([O-])=O)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H19N5O3/c1-32-19-31-17-27(32)28(23-8-3-21(15-29)4-9-23)36-18-25-11-5-22(16-30)14-24(25)10-2-20-6-12-26(13-7-20)33(34)35/h3-9,11-14,17,19,28H,18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.550n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of the human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM.


Bioorg Med Chem Lett 13: 3821-5 (2003)


BindingDB Entry DOI: 10.7270/Q2319V9P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50134559
PNG
(4-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1C#Cc1ccc(cc1)[N+]([O-])=O)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H19N5O3/c1-32-19-31-17-27(32)28(23-8-3-21(15-29)4-9-23)36-18-25-11-5-22(16-30)14-24(25)10-2-20-6-12-26(13-7-20)33(34)35/h3-9,11-14,17,19,28H,18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 150n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of the human Geranylgeranyl transferase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide corresponding to the C-ter...


Bioorg Med Chem Lett 13: 3821-5 (2003)


BindingDB Entry DOI: 10.7270/Q2319V9P
More data for this
Ligand-Target Pair