BDBM50033130 (3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexanoylamino)-9-(4-chloro-benzyl)-6-(3-guanidino-propyl)-12-(3H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18hexaaza-cyclotricosane-23-carboxylic acid amide::CHEMBL413212
SMILES: CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
InChI Key: InChIKey=XKNNYYXDOBIKRE-MYGWSCCLSA-N
Data: 7 EC50
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 3 (Homo sapiens (Human)) | BDBM50033130 ((3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexan...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.0630 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Evaluated for agonist activity at cloned Melanocortin 3 receptor | J Med Chem 38: 3454-61 (1995) BindingDB Entry DOI: 10.7270/Q2Z32094 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocyte-stimulating hormone receptor (Homo sapiens (Human)) | BDBM50033130 ((3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexan...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.00500 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Evaluated for agonist activity against human Melanocortin 1 receptor using hMC1-R assay | J Med Chem 38: 3454-61 (1995) BindingDB Entry DOI: 10.7270/Q2Z32094 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocyte-stimulating hormone receptor (Homo sapiens (Human)) | BDBM50033130 ((3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexan...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Evaluated for agonist at cloned mammalian Melanocortin 1 receptor in frog (Rana pipiens) skin assay | J Med Chem 38: 3454-61 (1995) BindingDB Entry DOI: 10.7270/Q2Z32094 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocyte-stimulating hormone receptor (Homo sapiens (Human)) | BDBM50033130 ((3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexan...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.00500 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Evaluated for agonist activity at cloned mammalian human MSH1 receptor | J Med Chem 38: 3454-61 (1995) BindingDB Entry DOI: 10.7270/Q2Z32094 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 5 (MC5R) (Mus musculus (Mouse)) | BDBM50033130 ((3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexan...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.117 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Evaluated for agonist activity at cloned mammalian mouse Melanocortin 5 receptor | J Med Chem 38: 3454-61 (1995) BindingDB Entry DOI: 10.7270/Q2Z32094 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50033130 ((3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexan...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.0180 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Evaluated for agonist activity at cloned mammalian Melanocortin 4 receptor | J Med Chem 38: 3454-61 (1995) BindingDB Entry DOI: 10.7270/Q2Z32094 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 1 (Mus musculus) | BDBM50033130 ((3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexan...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.00950 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Evaluated for agonist activity against mouse Melanocortin 1 receptor using mMC1R assay | J Med Chem 38: 3454-61 (1995) BindingDB Entry DOI: 10.7270/Q2Z32094 | |||||||||||
More data for this Ligand-Target Pair |