BDBM50049376 1-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-cyclopentanecarboxylic acid {(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-amide::CHEMBL164062
SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1(CCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
InChI Key: InChIKey=LWCRDGJQTBYXRV-OZBSPJRCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50049376 (1-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]-DPDPE (0.63 nM) from Opioid receptor delta 1 | J Med Chem 39: 773-80 (1996) Article DOI: 10.1021/jm950490j BindingDB Entry DOI: 10.7270/Q2QV3KKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50049376 (1-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]-DAGO (1.28 nM) from Opioid receptor mu 1 | J Med Chem 39: 773-80 (1996) Article DOI: 10.1021/jm950490j BindingDB Entry DOI: 10.7270/Q2QV3KKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50049376 (1-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Compound was evaluated for its inhibitory activity towards Opioid receptor mu 1 of guinea pig ileum (GPI) | J Med Chem 39: 773-80 (1996) Article DOI: 10.1021/jm950490j BindingDB Entry DOI: 10.7270/Q2QV3KKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50049376 (1-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD) | J Med Chem 39: 773-80 (1996) Article DOI: 10.1021/jm950490j BindingDB Entry DOI: 10.7270/Q2QV3KKJ | |||||||||||
More data for this Ligand-Target Pair |