BDBM50253750 (3S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-[(1S)-2-(methylamino)-1-(2-naphthalenylmethyl)-2-oxoethyl]-3-oxo-2-propyl-1-piperazinyl}-2-oxoethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide::CHEMBL446757
SMILES: CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1
InChI Key: InChIKey=SYYCZXDFWBANLC-WLPVSNDTSA-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)) | BDBM50253750 ((3S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells | J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 3 (Homo sapiens (Human)) | BDBM50253750 ((3S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of europium-labeled NDP-alpha-MSH from human MC3R expressed in HEK293 cells | J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocyte-stimulating hormone receptor (Homo sapiens (Human)) | BDBM50253750 ((3S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 194 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of europium-labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells | J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50253750 ((3S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at human MC4R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay | J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 3 (Homo sapiens (Human)) | BDBM50253750 ((3S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at human MC3R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay | J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocyte-stimulating hormone receptor (Homo sapiens (Human)) | BDBM50253750 ((3S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at human MC1R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay | J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC | |||||||||||
More data for this Ligand-Target Pair |