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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor' and Ligand = 'BDBM50207677'   
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


(Homo sapiens (Human))
BDBM50207677
PNG
(CHEMBL248296 | N-(1-(4-(3-(dimethylamino)propoxy)-...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C27H31F2N3O4/c1-31(2)10-3-13-35-24-7-4-18(14-22(24)29)17-32-11-8-20(9-12-32)30-27(34)26-16-23(33)21-6-5-19(28)15-25(21)36-26/h4-7,14-16,20H,3,8-13,17H2,1-2H3,(H,30,34)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50207677
PNG
(CHEMBL248296 | N-(1-(4-(3-(dimethylamino)propoxy)-...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C27H31F2N3O4/c1-31(2)10-3-13-35-24-7-4-18(14-22(24)29)17-32-11-8-20(9-12-32)30-27(34)26-16-23(33)21-6-5-19(28)15-25(21)36-26/h4-7,14-16,20H,3,8-13,17H2,1-2H3,(H,30,34)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 773n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair