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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 = 'BDBM50381345'   
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))
BDBM50381345
PNG
(CHEMBL2016706)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C25H28ClN5O3/c1-16(2)24(33)30-10-12-31(13-11-30)25-27-17(3)21-14-19(6-9-22(21)29-25)28-23(32)15-34-20-7-4-18(26)5-8-20/h4-9,14,16H,10-13,15H2,1-3H3,(H,28,32)
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PC cid
PC sid
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Article
PubMed
n/an/a 91n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381345
PNG
(CHEMBL2016706)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C25H28ClN5O3/c1-16(2)24(33)30-10-12-31(13-11-30)25-27-17(3)21-14-19(6-9-22(21)29-25)28-23(32)15-34-20-7-4-18(26)5-8-20/h4-9,14,16H,10-13,15H2,1-3H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 225n/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 CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair