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BDBM50135367 5-Benzo[1,3]dioxol-5-yl-6-[(4-cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile::CHEMBL130185

SMILES: Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc2OCOc2c1)c1ccc(cc1)C#N

InChI Key: InChIKey=CRPNIZNJBGVBMQ-UHFFFAOYNA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50135367   
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))
BDBM50135367
PNG
(5-Benzo[1,3]dioxol-5-yl-6-[(4-cyano-phenyl)-(3-met...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc2OCOc2c1)c1ccc(cc1)C#N
Show InChI InChI=1/C27H21N5O4/c1-31-15-30-13-22(31)26(18-5-3-17(11-28)4-6-18)34-14-23-21(9-20(12-29)27(33)32(23)2)19-7-8-24-25(10-19)36-16-35-24/h3-10,13,15,26H,14,16H2,1-2H3
PDB
MMDB

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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 2.10n/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)


Article DOI: 10.1016/j.bmcl.2003.08.058
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))
BDBM50135367
PNG
(5-Benzo[1,3]dioxol-5-yl-6-[(4-cyano-phenyl)-(3-met...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc2OCOc2c1)c1ccc(cc1)C#N
Show InChI InChI=1/C27H21N5O4/c1-31-15-30-13-22(31)26(18-5-3-17(11-28)4-6-18)34-14-23-21(9-20(12-29)27(33)32(23)2)19-7-8-24-25(10-19)36-16-35-24/h3-10,13,15,26H,14,16H2,1-2H3
PDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+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)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135367
PNG
(5-Benzo[1,3]dioxol-5-yl-6-[(4-cyano-phenyl)-(3-met...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc2OCOc2c1)c1ccc(cc1)C#N
Show InChI InChI=1/C27H21N5O4/c1-31-15-30-13-22(31)26(18-5-3-17(11-28)4-6-18)34-14-23-21(9-20(12-29)27(33)32(23)2)19-7-8-24-25(10-19)36-16-35-24/h3-10,13,15,26H,14,16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.420n/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)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair