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BDBM50135391 6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-5-(3-methoxy-phenyl)-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile::CHEMBL128834

SMILES: COc1cccc(c1)-c1cc(C#N)c(=O)n(C)c1COC(c1cncn1C)c1ccc(cc1)C#N

InChI Key: InChIKey=RCFIBNPHKRATBK-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50135391   
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))
BDBM50135391
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES COc1cccc(c1)-c1cc(C#N)c(=O)n(C)c1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H23N5O3/c1-31-17-30-15-24(31)26(19-9-7-18(13-28)8-10-19)35-16-25-23(12-21(14-29)27(33)32(25)2)20-5-4-6-22(11-20)34-3/h4-12,15,17,26H,16H2,1-3H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 0.410n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135391
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES COc1cccc(c1)-c1cc(C#N)c(=O)n(C)c1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H23N5O3/c1-31-17-30-15-24(31)26(19-9-7-18(13-28)8-10-19)35-16-25-23(12-21(14-29)27(33)32(25)2)20-5-4-6-22(11-20)34-3/h4-12,15,17,26H,16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135391
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES COc1cccc(c1)-c1cc(C#N)c(=O)n(C)c1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H23N5O3/c1-31-17-30-15-24(31)26(19-9-7-18(13-28)8-10-19)35-16-25-23(12-21(14-29)27(33)32(25)2)20-5-4-6-22(11-20)34-3/h4-12,15,17,26H,16H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 4.70n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair