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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor 1' and Ligand = 'BDBM50214034'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50214034
PNG
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(t...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)nc2c1
Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-12-19(26-2)6-7-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1
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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50214034
PNG
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(t...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)nc2c1
Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-12-19(26-2)6-7-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair