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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 = 'BDBM50159337'   
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)
BDBM50159337
PNG
(CHEMBL3787028)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCOCC2)cc1
Show InChI InChI=1S/C25H28N4O5/c1-31-20-9-5-19(6-10-20)23-26-27-24(34-23)25(30)29-16-22(17-29)33-21-7-3-18(4-8-21)15-28-11-2-13-32-14-12-28/h3-10,22H,2,11-17H2,1H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/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))
BDBM50159337
PNG
(CHEMBL3787028)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCOCC2)cc1
Show InChI InChI=1S/C25H28N4O5/c1-31-20-9-5-19(6-10-20)23-26-27-24(34-23)25(30)29-16-22(17-29)33-21-7-3-18(4-8-21)15-28-11-2-13-32-14-12-28/h3-10,22H,2,11-17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/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