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BDBM13386 3-(2H-1,3-benzodioxol-5-yl)-4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzonitrile::A313326 Analogue 22

SMILES: Cn1cncc1C(OCc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(cc1)C#N

InChI Key: InChIKey=CJOWDGQKVQMHOD-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 13386   
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 farnesyl/geranylgeranyl transferase


(Homo sapiens (Human))
BDBM13386
PNG
(3-(2H-1,3-benzodioxol-5-yl)-4-{[(4-cyanophenyl)(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20N4O3/c1-31-16-30-14-24(31)27(20-5-2-18(12-28)3-6-20)32-15-22-7-4-19(13-29)10-23(22)21-8-9-25-26(11-21)34-17-33-25/h2-11,14,16,27H,15,17H2,1H3
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PC cid
PC sid
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Article
PubMed
n/an/a 0.870n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM13386
PNG
(3-(2H-1,3-benzodioxol-5-yl)-4-{[(4-cyanophenyl)(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20N4O3/c1-31-16-30-14-24(31)27(20-5-2-18(12-28)3-6-20)32-15-22-7-4-19(13-29)10-23(22)21-8-9-25-26(11-21)34-17-33-25/h2-11,14,16,27H,15,17H2,1H3
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UniChem

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Article
PubMed
n/an/a 871n/an/an/an/an/an/a



The M.S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of FTase


Bioorg Med Chem Lett 16: 1821-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.019
BindingDB Entry DOI: 10.7270/Q2W66PJG
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Bos taurus (bovine))
BDBM13386
PNG
(3-(2H-1,3-benzodioxol-5-yl)-4-{[(4-cyanophenyl)(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20N4O3/c1-31-16-30-14-24(31)27(20-5-2-18(12-28)3-6-20)32-15-22-7-4-19(13-29)10-23(22)21-8-9-25-26(11-21)34-17-33-25/h2-11,14,16,27H,15,17H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair