BDBM50037492 CHEMBL113995::[(S)-2-(2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-acetylamino)-3-phenyl-propionylamino]-acetic acid
SMILES: C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
InChI Key: InChIKey=ACFMXHBRDFRELI-YSSFQJQWSA-N
Data: 1 KI
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 (MOUSE) | BDBM50037492 (CHEMBL113995 | [(S)-2-(2-{(S)-2-[(S)-2-Amino-3-(4-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity against opioid receptor by displacing radioligand [3H]DAMGO | J Med Chem 37: 3408-18 (1994) BindingDB Entry DOI: 10.7270/Q2M32WD4 | |||||||||||
More data for this Ligand-Target Pair |