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BDBM50301095 4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)phenethyl)pyridin-2(1H)-one::CHEMBL570296

SMILES: CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1

InChI Key: InChIKey=YYCDRZDDLBLWPS-UHFFFAOYSA-N

Data: 12 IC50

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 12 hits for monomerid = 50301095   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta-type opioid receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCH1R expressed on CHOK1 cell membrane


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel 1


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu-type opioid receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H3 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H4 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of adenosine receptor A2A


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa-type opioid receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair