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BDBM50135353 5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile::CHEMBL128309

SMILES: Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(cc1)C#N

InChI Key: InChIKey=AECLAEDYDCKFJG-UHFFFAOYSA-N

Data: 3 IC50  2 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 5 hits for monomerid = 50135353   
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))
BDBM50135353
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20ClN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
PDB
MMDB

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n/an/an/an/a 0.5n/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
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135353
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20ClN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
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PC sid
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n/an/a 0.440n/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))
BDBM50135353
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20ClN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
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n/an/a 2.70E+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 beta/geranylgeranyltransferase type I alpha subunit


(Mus musculus)
BDBM50135353
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20ClN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
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n/an/an/an/a 0.5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Bioorg Med Chem Lett 14: 4603-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.004
BindingDB Entry DOI: 10.7270/Q27080WG
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50135353
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20ClN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Bioorg Med Chem Lett 14: 4603-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.004
BindingDB Entry DOI: 10.7270/Q27080WG
More data for this
Ligand-Target Pair