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BDBM16181 1-[2-(4-cyanophenyl)-2-hydroxy-2-(1-methyl-1H-imidazol-5-yl)ethyl]-5-(naphthalen-1-yl)-1,2,3,6-tetrahydropyridine-4-carbonitrile::1-[2-(4-cyanophenyl)-2-hydroxy-2-(1-methyl-1H-imidazol-5-yl)ethyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydropyridine-4-carbonitrile::A345677::CHEMBL282161

SMILES: Cn1cncc1C(O)(CN1CCC(C#N)=C(C1)c1cccc2ccccc12)c1ccc(cc1)C#N

InChI Key: InChIKey=ROYSOBXGDVHDTQ-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 16181   
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)


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM16181
PNG
(1-[2-(4-cyanophenyl)-2-hydroxy-2-(1-methyl-1H-imid...)
Show SMILES Cn1cncc1C(O)(CN1CCC(C#N)=C(C1)c1cccc2ccccc12)c1ccc(cc1)C#N |c:15|
Show InChI InChI=1S/C29H25N5O/c1-33-20-32-17-28(33)29(35,24-11-9-21(15-30)10-12-24)19-34-14-13-23(16-31)27(18-34)26-8-4-6-22-5-2-3-7-25(22)26/h2-12,17,20,35H,13-14,18-19H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 48: 3704-13 (2005)


Article DOI: 10.1021/jm0491039
BindingDB Entry DOI: 10.7270/Q2BC3WSQ
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM16181
PNG
(1-[2-(4-cyanophenyl)-2-hydroxy-2-(1-methyl-1H-imid...)
Show SMILES Cn1cncc1C(O)(CN1CCC(C#N)=C(C1)c1cccc2ccccc12)c1ccc(cc1)C#N |c:15|
Show InChI InChI=1S/C29H25N5O/c1-33-20-32-17-28(33)29(35,24-11-9-21(15-30)10-12-24)19-34-14-13-23(16-31)27(18-34)26-8-4-6-22-5-2-3-7-25(22)26/h2-12,17,20,35H,13-14,18-19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 540n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Ras farnesylation in Human Ha-Ras oncogene-transformed BALB/c 3T3 cells (EJ3 cells)


Bioorg Med Chem Lett 13: 1363-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30PD
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Mus musculus)
BDBM16181
PNG
(1-[2-(4-cyanophenyl)-2-hydroxy-2-(1-methyl-1H-imid...)
Show SMILES Cn1cncc1C(O)(CN1CCC(C#N)=C(C1)c1cccc2ccccc12)c1ccc(cc1)C#N |c:15|
Show InChI InChI=1S/C29H25N5O/c1-33-20-32-17-28(33)29(35,24-11-9-21(15-30)10-12-24)19-34-14-13-23(16-31)27(18-34)26-8-4-6-22-5-2-3-7-25(22)26/h2-12,17,20,35H,13-14,18-19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Ras farnesylation in Human Ha-Ras oncogene-transformed BALB/c 3T3 cells (EJ3 cells)


Bioorg Med Chem Lett 13: 1363-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30PD
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM16181
PNG
(1-[2-(4-cyanophenyl)-2-hydroxy-2-(1-methyl-1H-imid...)
Show SMILES Cn1cncc1C(O)(CN1CCC(C#N)=C(C1)c1cccc2ccccc12)c1ccc(cc1)C#N |c:15|
Show InChI InChI=1S/C29H25N5O/c1-33-20-32-17-28(33)29(35,24-11-9-21(15-30)10-12-24)19-34-14-13-23(16-31)27(18-34)26-8-4-6-22-5-2-3-7-25(22)26/h2-12,17,20,35H,13-14,18-19H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.480n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase


Bioorg Med Chem Lett 13: 1363-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30PD
More data for this
Ligand-Target Pair