BDBM50068133 (4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-(4-chloro-benzyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid::CHEMBL143939
SMILES: CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
InChI Key: InChIKey=VTVUYFFDQHWCTJ-WMIMKTLMSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50068133 ((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky Curated by ChEMBL | Assay Description Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain | Bioorg Med Chem Lett 16: 4291-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.060 BindingDB Entry DOI: 10.7270/Q2XG9RXF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50068133 ((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky Curated by ChEMBL | Assay Description Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain | Bioorg Med Chem Lett 16: 4291-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.060 BindingDB Entry DOI: 10.7270/Q2XG9RXF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nociceptin receptor (Cavia porcellus) | BDBM50068133 ((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky Curated by ChEMBL | Assay Description Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain | Bioorg Med Chem Lett 16: 4291-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.060 BindingDB Entry DOI: 10.7270/Q2XG9RXF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50068133 ((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...) | 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 |
University of Kentucky Curated by ChEMBL | Assay Description Displacement of radiolabeled U69593 from kappa1 opioid receptor in Hartley guinea pig brain | Bioorg Med Chem Lett 16: 4291-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.060 BindingDB Entry DOI: 10.7270/Q2XG9RXF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50068133 ((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona Curated by ChEMBL | Assay Description Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand. | J Med Chem 41: 4767-76 (1998) Article DOI: 10.1021/jm980374r BindingDB Entry DOI: 10.7270/Q2DZ07FQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50068133 ((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona Curated by ChEMBL | Assay Description Binding affinity was measured against mutated human Opioid receptor delta 1 (W248L) | J Med Chem 41: 4767-76 (1998) Article DOI: 10.1021/jm980374r BindingDB Entry DOI: 10.7270/Q2DZ07FQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50068133 ((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona Curated by ChEMBL | Assay Description Binding affinity was measured against cloned human Opioid receptor delta 1 (wild-type,Wt) | J Med Chem 41: 4767-76 (1998) Article DOI: 10.1021/jm980374r BindingDB Entry DOI: 10.7270/Q2DZ07FQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50068133 ((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 609 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona Curated by ChEMBL | Assay Description Binding affinity was measured against Opioid receptor mu 1 using [3H]-DAMGO as radioligand. | J Med Chem 41: 4767-76 (1998) Article DOI: 10.1021/jm980374r BindingDB Entry DOI: 10.7270/Q2DZ07FQ | |||||||||||
More data for this Ligand-Target Pair |