BDBM50016867 (S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydroxy-phenyl)-propionylamino]-5-guanidino-pentanoylamino}-3-phenyl-propionylamino)-hexanoic acid amide::6-amino-2-[1-[1-[1-amino-2-(4-hydroxyphenyl)-(1S)-ethylcarboxamido]-4-amino(imino)methylamino-(1R)-butylcarboxamido]-2-phenyl-(1S)-ethylcarboxamido]-(2S)-hexanamide::CHEMBL60444
SMILES: NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
InChI Key: InChIKey=UEVAHGMTRWGMTB-JBXUNAHCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain | Bioorg Med Chem Lett 4: 2049-2054 (1994) Article DOI: 10.1016/S0960-894X(01)80561-8 BindingDB Entry DOI: 10.7270/Q2MK6CV3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Medical University Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu-type opioid receptor in rat brain membranes incubated for 2 hrs | Bioorg Med Chem Lett 26: 3629-31 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NVQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.70 | 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 Binding affinity against opioid receptor mu by displacement of radioligand [3H]-DAGO in rat brain membrane | J Med Chem 32: 698-703 (1989) BindingDB Entry DOI: 10.7270/Q29W0DGM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes | ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity of the compound against delta-opioid receptor by using [3H]-DADLE as radioligand in rat brain | Bioorg Med Chem Lett 4: 2049-2054 (1994) Article DOI: 10.1016/S0960-894X(01)80561-8 BindingDB Entry DOI: 10.7270/Q2MK6CV3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Medical University Curated by ChEMBL | Assay Description Displacement of [3H]U69,593 from kappa-type opioid receptor in guniea pig brain membranes incubated for 2 hrs | Bioorg Med Chem Lett 26: 3629-31 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NVQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Medical University Curated by ChEMBL | Assay Description Displacement of [3H]DSLET from delta-type opioid receptor in rat brain membranes incubated for 2 hrs | Bioorg Med Chem Lett 26: 3629-31 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NVQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.92E+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 Binding affinity against opioid receptor delta by displacement of radioligand [3H]-DSLET in rat brain membrane | J Med Chem 32: 698-703 (1989) BindingDB Entry DOI: 10.7270/Q29W0DGM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Medical University Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction | Bioorg Med Chem Lett 26: 3629-31 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NVQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 781 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Medical University Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in albino mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction | Bioorg Med Chem Lett 26: 3629-31 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NVQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in guinea pig ileum | ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC | |||||||||||
More data for this Ligand-Target Pair |