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SMILES: CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1

InChI Key: InChIKey=ORCCEUNUHQADKD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50296045   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296045
PNG
(CHEMBL562847 | N-(1-(6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1
Show InChI InChI=1S/C29H35F3N4O2/c1-2-3-4-26(23-5-10-27(37)33-18-23)34-28(38)17-21-11-14-35(15-12-21)19-22-13-16-36(20-22)25-8-6-24(7-9-25)29(30,31)32/h5-10,13,16,18,20-21,26H,2-4,11-12,14-15,17,19H2,1H3,(H,33,37)(H,34,38)
PDB
MMDB

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n/an/a>3.16E+4n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 19: 4268-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.067
BindingDB Entry DOI: 10.7270/Q2RX9C4H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50296045
PNG
(CHEMBL562847 | N-(1-(6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1
Show InChI InChI=1S/C29H35F3N4O2/c1-2-3-4-26(23-5-10-27(37)33-18-23)34-28(38)17-21-11-14-35(15-12-21)19-22-13-16-36(20-22)25-8-6-24(7-9-25)29(30,31)32/h5-10,13,16,18,20-21,26H,2-4,11-12,14-15,17,19H2,1H3,(H,33,37)(H,34,38)
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n/an/a 19n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 19: 4268-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.067
BindingDB Entry DOI: 10.7270/Q2RX9C4H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50296045
PNG
(CHEMBL562847 | N-(1-(6-oxo-1,6-dihydropyridin-3-yl...)
Show SMILES CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1
Show InChI InChI=1S/C29H35F3N4O2/c1-2-3-4-26(23-5-10-27(37)33-18-23)34-28(38)17-21-11-14-35(15-12-21)19-22-13-16-36(20-22)25-8-6-24(7-9-25)29(30,31)32/h5-10,13,16,18,20-21,26H,2-4,11-12,14-15,17,19H2,1H3,(H,33,37)(H,34,38)
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PC sid
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4268-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.067
BindingDB Entry DOI: 10.7270/Q2RX9C4H
More data for this
Ligand-Target Pair