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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 = 'BDBM50171594'   
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))
BDBM50171594
PNG
(CHEMBL196223 | N-(1-Benzo[1,3]dioxol-5-ylmethyl-pi...)
Show SMILES CC(C)OCCCNc1ncc(Cl)cc1C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C25H33ClN4O4/c1-17(2)32-11-3-8-27-24-21(13-19(26)14-28-24)25(31)29-20-6-9-30(10-7-20)15-18-4-5-22-23(12-18)34-16-33-22/h4-5,12-14,17,20H,3,6-11,15-16H2,1-2H3,(H,27,28)(H,29,31)
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PC sid
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity towards melanin-concentrating hormone receptor 1 in IMR32 cells


Bioorg Med Chem Lett 15: 4174-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.089
BindingDB Entry DOI: 10.7270/Q2N29WGN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50171594
PNG
(CHEMBL196223 | N-(1-Benzo[1,3]dioxol-5-ylmethyl-pi...)
Show SMILES CC(C)OCCCNc1ncc(Cl)cc1C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C25H33ClN4O4/c1-17(2)32-11-3-8-27-24-21(13-19(26)14-28-24)25(31)29-20-6-9-30(10-7-20)15-18-4-5-22-23(12-18)34-16-33-22/h4-5,12-14,17,20H,3,6-11,15-16H2,1-2H3,(H,27,28)(H,29,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against MCH1R IMR32 cells in FLIPR-based assay


Bioorg Med Chem Lett 15: 4174-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.089
BindingDB Entry DOI: 10.7270/Q2N29WGN
More data for this
Ligand-Target Pair