BDBM50031226 (S)-3-[2-({(S)-2-[(S)-2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-3-phenyl-propionylamino)-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoyl}-butyl-amino)-acetylamino]-succinamic acid::CHEMBL340919
SMILES: CCCCN(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChI Key: InChIKey=UTLROTXPFCUVES-PQVJJDQFSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50031226 ((S)-3-[2-({(S)-2-[(S)-2-((S)-2-{(R)-2-[(S)-2-Amino...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku College of Pharmacy Curated by ChEMBL | Assay Description Inhibition of [3H]-DADLE binding to rat brain delta receptor | J Med Chem 38: 3995-9 (1995) BindingDB Entry DOI: 10.7270/Q2P849WG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50031226 ((S)-3-[2-({(S)-2-[(S)-2-((S)-2-{(R)-2-[(S)-2-Amino...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku College of Pharmacy Curated by ChEMBL | Assay Description Inhibition of [3H]-DAGO binding to rat brain Opioid receptor mu 1 | J Med Chem 38: 3995-9 (1995) BindingDB Entry DOI: 10.7270/Q2P849WG | |||||||||||
More data for this Ligand-Target Pair |