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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 = 'BDBM50351318'   
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))
BDBM50351318
PNG
(CHEMBL1818806)
Show SMILES CCC(=O)N(C)CC1=Cc2ccc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1 |t:7|
Show InChI InChI=1S/C28H27ClN2O2/c1-3-27(32)31(2)18-19-4-5-24-17-26(15-12-23(24)16-19)30-28(33)22-8-6-20(7-9-22)21-10-13-25(29)14-11-21/h6-17H,3-5,18H2,1-2H3,(H,30,33)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60n/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
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50351318
PNG
(CHEMBL1818806)
Show SMILES CCC(=O)N(C)CC1=Cc2ccc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1 |t:7|
Show InChI InChI=1S/C28H27ClN2O2/c1-3-27(32)31(2)18-19-4-5-24-17-26(15-12-23(24)16-19)30-28(33)22-8-6-20(7-9-22)21-10-13-25(29)14-11-21/h6-17H,3-5,18H2,1-2H3,(H,30,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20n/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