BDBM50272169 (S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamido)-3-(1H-benzo[d]imidazol-2-yl)propanoic acid::3-({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-3-(1H-benzoimidazol-2-yl)-propionic acid::CHEMBL442577::H-Dmt-Tic-NH-(S)CH(CH2-COOH)-Bid::UFP-512
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1
InChI Key: InChIKey=USVQTDLSVBRMCR-YGPDHOBYSA-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)) | BDBM50272169 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane | Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50272169 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.443 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane | J Med Chem 51: 5109-17 (2008) Article DOI: 10.1021/jm800587e BindingDB Entry DOI: 10.7270/Q2DB81NR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50272169 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.443 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes | J Med Chem 45: 5556-63 (2002) BindingDB Entry DOI: 10.7270/Q2BR8SWH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50272169 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 53.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane | J Med Chem 51: 5109-17 (2008) Article DOI: 10.1021/jm800587e BindingDB Entry DOI: 10.7270/Q2DB81NR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50272169 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 53.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane | Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50272169 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 53.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Inhibition of [3H]DAGO binding to Opioid receptor mu 1 of rat brain P2 synaptosomes | J Med Chem 45: 5556-63 (2002) BindingDB Entry DOI: 10.7270/Q2BR8SWH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50272169 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...) | 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 | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in mouse vas deference | Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50272169 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig small intestine | Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-opioid receptor (Cavia porcellus) | BDBM50272169 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig ileum myenteric plexus longitudinal muscle assessed as inhibition of electrically-stimul... | J Med Chem 51: 5109-17 (2008) Article DOI: 10.1021/jm800587e BindingDB Entry DOI: 10.7270/Q2DB81NR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50272169 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description In vitro inhibitory activity against electrically evoked contractions of in mouse vas deferens (MVD) | J Med Chem 45: 5556-63 (2002) BindingDB Entry DOI: 10.7270/Q2BR8SWH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50272169 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description In vitro inhibitory activity against electrically evoked contractions of guinea pig ileum (GPI) | J Med Chem 45: 5556-63 (2002) BindingDB Entry DOI: 10.7270/Q2BR8SWH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50272169 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...) | 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 | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction | J Med Chem 51: 5109-17 (2008) Article DOI: 10.1021/jm800587e BindingDB Entry DOI: 10.7270/Q2DB81NR | |||||||||||
More data for this Ligand-Target Pair |