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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 = 'BDBM50197144'   
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))
BDBM50197144
PNG
(CHEMBL387418 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc2c(cc1Cl)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20ClFN2O5/c24-16-9-20-15(8-17(16)25)18(28)10-22(32-20)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197144
PNG
(CHEMBL387418 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc2c(cc1Cl)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20ClFN2O5/c24-16-9-20-15(8-17(16)25)18(28)10-22(32-20)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHr1 assessed as inhibition of MCH-mediated calcium ion release in intact IMR32 cells by FLIPR assay


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair