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BDBM50135362 6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-5-(3,4-dichloro-phenyl)-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile::CHEMBL131612

SMILES: Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C#N

InChI Key: InChIKey=INXLLPVQCSRCGC-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50135362   
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))
BDBM50135362
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-20(9-19(12-30)26(34)33(24)2)18-7-8-21(27)22(28)10-18/h3-10,13,15,25H,14H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 86n/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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135362
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-20(9-19(12-30)26(34)33(24)2)18-7-8-21(27)22(28)10-18/h3-10,13,15,25H,14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.30E+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))
BDBM50135362
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-20(9-19(12-30)26(34)33(24)2)18-7-8-21(27)22(28)10-18/h3-10,13,15,25H,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.490n/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