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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 = 'BDBM50159236'   
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)
BDBM50159236
PNG
(CHEMBL3787170)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)c(F)c1
Show InChI InChI=1S/C22H23FN4O4/c1-26(2)11-15-6-9-17(10-19(15)23)30-18-12-27(13-18)22(28)21-25-24-20(31-21)14-4-7-16(29-3)8-5-14/h4-10,18H,11-13H2,1-3H3
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/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))
BDBM50159236
PNG
(CHEMBL3787170)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)c(F)c1
Show InChI InChI=1S/C22H23FN4O4/c1-26(2)11-15-6-9-17(10-19(15)23)30-18-12-27(13-18)22(28)21-25-24-20(31-21)14-4-7-16(29-3)8-5-14/h4-10,18H,11-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/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