Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide
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 PubChem ID
CID: 9938402
SID: 14911585
Canonical SMILES
Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
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Compound Formula C33H41ClN6O2
Compound Structure
Protein Name
 Protein Info 
Melanocyte-stimulating hormone receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
Melanocortin receptor
Uniprot ID
Q01726
Gene Name
MC1R
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 2063 nM
   TI
   LI
   LO
   TS
2
IC50 = 2067 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  4
1
EC50 = 5 nM
   TI
   LI
   LO
   TS
2
EC50 = 1400 nM
   TI
   LI
   LO
   TS
3
Ki = 300 nM
   TI
   LI
   LO
   TS
4
Ki = 1500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 760 nM
2 Ki > 5000 nM