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BDBM50245414 CHEMBL462351::N-(1-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)piperidin-4-yl)-2-(3-chlorophenoxy)acetamide

SMILES: Clc1cccc(OCC(=O)NC2CCN(Cc3cc4OCOc4cc3Cl)CC2)c1

InChI Key: InChIKey=MLMQMUQOOFSKQS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50245414   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50245414
PNG
(CHEMBL462351 | N-(1-((6-chlorobenzo[d][1,3]dioxol-...)
Show SMILES Clc1cccc(OCC(=O)NC2CCN(Cc3cc4OCOc4cc3Cl)CC2)c1
Show InChI InChI=1S/C21H22Cl2N2O4/c22-15-2-1-3-17(9-15)27-12-21(26)24-16-4-6-25(7-5-16)11-14-8-19-20(10-18(14)23)29-13-28-19/h1-3,8-10,16H,4-7,11-13H2,(H,24,26)
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 505n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 18: 4859-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.079
BindingDB Entry DOI: 10.7270/Q2125SHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50245414
PNG
(CHEMBL462351 | N-(1-((6-chlorobenzo[d][1,3]dioxol-...)
Show SMILES Clc1cccc(OCC(=O)NC2CCN(Cc3cc4OCOc4cc3Cl)CC2)c1
Show InChI InChI=1S/C21H22Cl2N2O4/c22-15-2-1-3-17(9-15)27-12-21(26)24-16-4-6-25(7-5-16)11-14-8-19-20(10-18(14)23)29-13-28-19/h1-3,8-10,16H,4-7,11-13H2,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4859-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.079
BindingDB Entry DOI: 10.7270/Q2125SHR
More data for this
Ligand-Target Pair