BDBM50081923 (S)-1-[(S)-2-{[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-2-phenyl-ethyl)-[1,2,4]oxadiazol-3-ylmethyl]-amino}-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid ((S)-1-carbamoyl-2-hydroxy-ethyl)-amide::CHEMBL134911
SMILES: C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nc(CN[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)no1
InChI Key: InChIKey=CLOYIHNFHCKMMP-VWGYHWLBSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50081923 ((S)-1-[(S)-2-{[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-h...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description The compound was tested for binding affinity towards rat Opioid receptor mu 1 by displacing [3H]DAMGO. | J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Rattus norvegicus (rat)) | BDBM50081923 ((S)-1-[(S)-2-{[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-h...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP. | J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK | |||||||||||
More data for this Ligand-Target Pair |