BDBM50009198 2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-3-phenyl-propionylamino)-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoic acid [1-(1-carbamoyl-propylcarbamoyl)-3-methylsulfanyl-propyl]-amide::CHEMBL297059
SMILES: CC[C@H](NC(=O)[C@H](CCSC)NC(=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)C(N)=O
InChI Key: InChIKey=NOWZWSKKEBODGT-PEAOEFARSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50009198 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane | J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50009198 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Inhibition of opioid receptor mu in guinea pig ileum (GPI) | J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50009198 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane | J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50009198 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay | J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50009198 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane | J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF | |||||||||||
More data for this Ligand-Target Pair |