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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 = 'BDBM50193688'   
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))
BDBM50193688
PNG
(CHEMBL217487 | N-(2-(azetidin-1-yl)quinolin-6-yl)-...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CCC2)cc1
Show InChI InChI=1S/C22H20F3N3O/c23-22(24,25)17-6-2-15(3-7-17)4-11-21(29)26-18-8-9-19-16(14-18)5-10-20(27-19)28-12-1-13-28/h2-3,5-10,14H,1,4,11-13H2,(H,26,29)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50193688
PNG
(CHEMBL217487 | N-(2-(azetidin-1-yl)quinolin-6-yl)-...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CCC2)cc1
Show InChI InChI=1S/C22H20F3N3O/c23-22(24,25)17-6-2-15(3-7-17)4-11-21(29)26-18-8-9-19-16(14-18)5-10-20(27-19)28-12-1-13-28/h2-3,5-10,14H,1,4,11-13H2,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 56n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair