BDBM50060080 2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-propionic acid::CHEMBL485576
SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
InChI Key: InChIKey=VUOZTGVYOFFWCN-IRXDYDNUSA-N
Data: 7 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 |
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Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50060080![]() (2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | 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 for Opioid receptor delta 1 by displacement of [3H]- DPDPE | J Med Chem 40: 3100-8 (1997) Article DOI: 10.1021/jm9607663 BindingDB Entry DOI: 10.7270/Q2TD9Z1N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50060080![]() (2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article | 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was evaluated for the binding affinity towards delta-opioid receptor by displacement of [3H]p-CI-DPDPE radioligand from mouse vas defere... | Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50060080![]() (2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 242 | 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 Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane | J Med Chem 52: 6941-5 (2009) Article DOI: 10.1021/jm9004913 BindingDB Entry DOI: 10.7270/Q2S182KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50060080![]() (2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+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 Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane | J Med Chem 52: 6941-5 (2009) Article DOI: 10.1021/jm9004913 BindingDB Entry DOI: 10.7270/Q2S182KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50060080![]() (2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.56E+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 for Opioid receptor mu 1 by displacement of [3H]- DAGO | J Med Chem 40: 3100-8 (1997) Article DOI: 10.1021/jm9607663 BindingDB Entry DOI: 10.7270/Q2TD9Z1N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50060080![]() (2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+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 Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane | J Med Chem 52: 6941-5 (2009) Article DOI: 10.1021/jm9004913 BindingDB Entry DOI: 10.7270/Q2S182KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50060080![]() (2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article | 2.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was evaluated for the binding affinity towards mu-opioid receptor by displacement of [3H]DAMGO radioligand from guinea pig ileum | Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211 | |||||||||||
More data for this Ligand-Target Pair |