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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 = 'BDBM50159342'   
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


(Mus musculus)
BDBM50159342
PNG
(CHEMBL3787134)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)cc1
Show InChI InChI=1S/C22H24N4O4/c1-25(2)12-15-4-8-18(9-5-15)29-19-13-26(14-19)22(27)21-24-23-20(30-21)16-6-10-17(28-3)11-7-16/h4-11,19H,12-14H2,1-3H3
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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis


J Med Chem 59: 2497-511 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50159342
PNG
(CHEMBL3787134)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)cc1
Show InChI InChI=1S/C22H24N4O4/c1-25(2)12-15-4-8-18(9-5-15)29-19-13-26(14-19)22(27)21-24-23-20(30-21)16-6-10-17(28-3)11-7-16/h4-11,19H,12-14H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins...


J Med Chem 59: 2497-511 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS
More data for this
Ligand-Target Pair