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BDBM50301081 4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyridin-2(1H)-one::CHEMBL584538

SMILES: Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1

InChI Key: InChIKey=ANCFKYJMXNMYNZ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50301081   
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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301081
PNG
(4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 5.60n/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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301081
PNG
(4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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CHEMBL
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PC sid
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Article
PubMed
n/an/a 5.60n/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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301081
PNG
(4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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PubMed
n/an/a 5.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay


Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301081
PNG
(4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
PDB
MMDB

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n/an/a 9n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...


Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301081
PNG
(4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay


Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair