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BDBM50351301 CHEMBL1818788

SMILES: COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2CC(CN(C)C)CCc2c1

InChI Key: InChIKey=ZLENJXHJTDYRCQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50351301   
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))
BDBM50351301
PNG
(CHEMBL1818788)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2CC(CN(C)C)CCc2c1
Show InChI InChI=1S/C27H30N2O2/c1-29(2)18-19-4-5-24-17-25(13-10-23(24)16-19)28-27(30)22-8-6-20(7-9-22)21-11-14-26(31-3)15-12-21/h6-15,17,19H,4-5,16,18H2,1-3H3,(H,28,30)
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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50351301
PNG
(CHEMBL1818788)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2CC(CN(C)C)CCc2c1
Show InChI InChI=1S/C27H30N2O2/c1-29(2)18-19-4-5-24-17-25(13-10-23(24)16-19)28-27(30)22-8-6-20(7-9-22)21-11-14-26(31-3)15-12-21/h6-15,17,19H,4-5,16,18H2,1-3H3,(H,28,30)
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PC sid
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Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from rat MCHR1 expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50351301
PNG
(CHEMBL1818788)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2CC(CN(C)C)CCc2c1
Show InChI InChI=1S/C27H30N2O2/c1-29(2)18-19-4-5-24-17-25(13-10-23(24)16-19)28-27(30)22-8-6-20(7-9-22)21-11-14-26(31-3)15-12-21/h6-15,17,19H,4-5,16,18H2,1-3H3,(H,28,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced GTPgammaS binding after 60 mins by scintillation coun...


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair