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BDBM50135389 5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-1-cyclopropylmethyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile::CHEMBL128760

SMILES: Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1CC1CC1)-c1cccc(Cl)c1)c1ccc(cc1)C#N

InChI Key: InChIKey=XPKOMAYTINMMOL-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 = 50135389   
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))
BDBM50135389
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1CC1CC1)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H24ClN5O2/c1-34-18-33-15-26(34)28(21-9-7-19(13-31)8-10-21)37-17-27-25(22-3-2-4-24(30)11-22)12-23(14-32)29(36)35(27)16-20-5-6-20/h2-4,7-12,15,18,20,28H,5-6,16-17H2,1H3
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PC sid
UniChem
PubMed
n/an/a 0.5n/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))
BDBM50135389
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1CC1CC1)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H24ClN5O2/c1-34-18-33-15-26(34)28(21-9-7-19(13-31)8-10-21)37-17-27-25(22-3-2-4-24(30)11-22)12-23(14-32)29(36)35(27)16-20-5-6-20/h2-4,7-12,15,18,20,28H,5-6,16-17H2,1H3
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antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+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))
BDBM50135389
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1CC1CC1)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H24ClN5O2/c1-34-18-33-15-26(34)28(21-9-7-19(13-31)8-10-21)37-17-27-25(22-3-2-4-24(30)11-22)12-23(14-32)29(36)35(27)16-20-5-6-20/h2-4,7-12,15,18,20,28H,5-6,16-17H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 4.80n/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