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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 = 'BDBM50325958'   
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))
BDBM50325958
PNG
(CHEMBL1223888 | N-(3-(1-(3-(1-(3-(trifluoromethyl)...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2Cc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C31H34F3N5O/c1-22(40)36-27-10-5-8-25(20-27)24-13-17-38(18-14-24)16-6-15-35-30-37-28-11-2-3-12-29(28)39(30)21-23-7-4-9-26(19-23)31(32,33)34/h2-5,7-12,19-20,24H,6,13-18,21H2,1H3,(H,35,37)(H,36,40)
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PC cid
PC sid
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Article
PubMed
n/an/a 93n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHOK1 cells assessed as reduction in [3H]inositol phosphate levels by scintillation proxi...


Bioorg Med Chem Lett 20: 5443-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.086
BindingDB Entry DOI: 10.7270/Q2J38SSG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50325958
PNG
(CHEMBL1223888 | N-(3-(1-(3-(1-(3-(trifluoromethyl)...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2Cc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C31H34F3N5O/c1-22(40)36-27-10-5-8-25(20-27)24-13-17-38(18-14-24)16-6-15-35-30-37-28-11-2-3-12-29(28)39(30)21-23-7-4-9-26(19-23)31(32,33)34/h2-5,7-12,19-20,24H,6,13-18,21H2,1H3,(H,35,37)(H,36,40)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHOK1 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 5443-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.086
BindingDB Entry DOI: 10.7270/Q2J38SSG
More data for this
Ligand-Target Pair