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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 = 'BDBM50183957'   
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))
BDBM50183957
PNG
(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...)
Show SMILES COc1ccc2n(C)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C24H27N3O4/c1-26-21-5-4-18(29-2)12-19(21)20(13-24(26)28)25-17-7-9-27(10-8-17)14-16-3-6-22-23(11-16)31-15-30-22/h3-6,11-13,17,25H,7-10,14-15H2,1-2H3
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PC sid
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2621-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.044
BindingDB Entry DOI: 10.7270/Q2SB45CQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50183957
PNG
(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...)
Show SMILES COc1ccc2n(C)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C24H27N3O4/c1-26-21-5-4-18(29-2)12-19(21)20(13-24(26)28)25-17-7-9-27(10-8-17)14-16-3-6-22-23(11-16)31-15-30-22/h3-6,11-13,17,25H,7-10,14-15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of MCH-mediated calcium release in whole IMR32 cells by FLIPR


Bioorg Med Chem Lett 16: 2621-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.044
BindingDB Entry DOI: 10.7270/Q2SB45CQ
More data for this
Ligand-Target Pair