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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor 1' and Ligand = 'BDBM50174895'   
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))
BDBM50174895
PNG
((1-benzo{1,3}dioxol-5-ylmethyl-piperidin-4-yl)(5-c...)
Show SMILES Clc1ccc2[nH]nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C20H21ClN4O2/c21-14-2-3-17-16(10-14)20(24-23-17)22-15-5-7-25(8-6-15)11-13-1-4-18-19(9-13)27-12-26-18/h1-4,9-10,15H,5-8,11-12H2,(H2,22,23,24)
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells


J Med Chem 49: 2339-52 (2006)


Article DOI: 10.1021/jm0512286
BindingDB Entry DOI: 10.7270/Q24F1Q9F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50174895
PNG
((1-benzo{1,3}dioxol-5-ylmethyl-piperidin-4-yl)(5-c...)
Show SMILES Clc1ccc2[nH]nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C20H21ClN4O2/c21-14-2-3-17-16(10-14)20(24-23-17)22-15-5-7-25(8-6-15)11-13-1-4-18-19(9-13)27-12-26-18/h1-4,9-10,15H,5-8,11-12H2,(H2,22,23,24)
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PC sid
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human MCHr1 from neuronal IMR32 cells


Bioorg Med Chem Lett 15: 5293-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.049
BindingDB Entry DOI: 10.7270/Q2GQ6X9P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50174895
PNG
((1-benzo{1,3}dioxol-5-ylmethyl-piperidin-4-yl)(5-c...)
Show SMILES Clc1ccc2[nH]nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C20H21ClN4O2/c21-14-2-3-17-16(10-14)20(24-23-17)22-15-5-7-25(8-6-15)11-13-1-4-18-19(9-13)27-12-26-18/h1-4,9-10,15H,5-8,11-12H2,(H2,22,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-mediated calcium release by FLIPR using human MCHr1 from neuronal IMR32 cells


Bioorg Med Chem Lett 15: 5293-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.049
BindingDB Entry DOI: 10.7270/Q2GQ6X9P
More data for this
Ligand-Target Pair