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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 = 'BDBM50168515'   
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


(Mus musculus)
BDBM50168515
PNG
(CHEMBL185688 | N-(1-Benzo[1,3]dioxol-5-ylmethyl-pi...)
Show SMILES COc1ccccc1-c1ccc(CC(=O)NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C28H30N2O4/c1-32-25-5-3-2-4-24(25)22-9-6-20(7-10-22)17-28(31)29-23-12-14-30(15-13-23)18-21-8-11-26-27(16-21)34-19-33-26/h2-11,16,23H,12-15,17-19H2,1H3,(H,29,31)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration required for binding affinity against mouse MCHr1 competing human neuronal IMR32 cells receptor in a radiometric binding ass...


Bioorg Med Chem Lett 15: 3412-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.023
BindingDB Entry DOI: 10.7270/Q26D5SHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50168515
PNG
(CHEMBL185688 | N-(1-Benzo[1,3]dioxol-5-ylmethyl-pi...)
Show SMILES COc1ccccc1-c1ccc(CC(=O)NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C28H30N2O4/c1-32-25-5-3-2-4-24(25)22-9-6-20(7-10-22)17-28(31)29-23-12-14-30(15-13-23)18-21-8-11-26-27(16-21)34-19-33-26/h2-11,16,23H,12-15,17-19H2,1H3,(H,29,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 530n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration required for functional antagonism of MCH mediated Ca+2 release competing human IMR32 cells receptor in a FLIPRTM based assa...


Bioorg Med Chem Lett 15: 3412-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.023
BindingDB Entry DOI: 10.7270/Q26D5SHR
More data for this
Ligand-Target Pair