BDBM50001460 3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionyl}-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl)-amino]-N-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid::CHEMBL330991::H-Tyr-D-Ala-Tic-Asp-Val-Val-Gly-NH2
SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
InChI Key: InChIKey=JOXXADDFFWZHEE-JMZWVCJUSA-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)) | BDBM50001460 (3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Binding affinity was determined on delta [3H]-DPDPE site in rat brain synaptosomes by radioreceptor assay | J Med Chem 36: 3748-56 (1994) BindingDB Entry DOI: 10.7270/Q2D799HM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50001460 (3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane | J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50001460 (3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 7.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Binding affinity was determined on mu [3H]-DAGO site in rat brain synaptosomes by radioreceptor assay | J Med Chem 36: 3748-56 (1994) BindingDB Entry DOI: 10.7270/Q2D799HM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50001460 (3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibition of [3H]- ]DAMGO binding to Opioid receptor mu 1 from rat brain membrane | J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50001460 (3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibition of electrically evoked contractions in Guinea pig ileum | J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50001460 (3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Tested for inhibition of amplification of electrically induced twitch in guinea pig ileum (GPI) | J Med Chem 36: 3748-56 (1994) BindingDB Entry DOI: 10.7270/Q2D799HM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50001460 (3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Tested for inhibition of amplification of electrically induced twitch in mouse vas deferens (MVD) | J Med Chem 36: 3748-56 (1994) BindingDB Entry DOI: 10.7270/Q2D799HM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50001460 (3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 481 | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibition of electrically evoked contractions in mouse vas deferens | J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH | |||||||||||
More data for this Ligand-Target Pair |