BDBM50119366 (R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((2-methyl-2H-tetrazol-5-yl)methyl)piperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {1-(4-chloro-benzyl)-2-[4-cyclohexyl-4-(2-methyl-2H-tetrazol-5-ylmethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide::CHEMBL140738
SMILES: Cn1nnc(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)n1
InChI Key: InChIKey=HKMLEGOMDNGINA-FQLXRVMXSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50119366 ((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as stimulation of cAMP production | J Med Chem 47: 6821-30 (2004) Article DOI: 10.1021/jm049278i BindingDB Entry DOI: 10.7270/Q2610ZSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human)) | BDBM50119366 ((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Evaluated for Functional Activity at MC5R as effective concentration at 50% maximum CMP accumulation | J Med Chem 45: 4589-93 (2002) BindingDB Entry DOI: 10.7270/Q2GT5MH9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50119366 ((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Evaluated for binding affinity against Melanocortin-4 receptor by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells | J Med Chem 45: 4589-93 (2002) BindingDB Entry DOI: 10.7270/Q2GT5MH9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50119366 ((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 9.60 | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Evaluated for Functional Activity at Melanocortin-4 receptor as effective concentration at 50% maximum CMP accumulation | J Med Chem 45: 4589-93 (2002) BindingDB Entry DOI: 10.7270/Q2GT5MH9 | |||||||||||
More data for this Ligand-Target Pair |