BDBM50039026 4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl)(3-hydroxyphenyl)methyl)-N,N-diethylbenzamide::4-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamide::4-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamide(SNC-86)::4-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamide::BW-373U86::CHEMBL25230::SNC-86
SMILES: CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1
InChI Key: InChIKey=LBLDMHBSVIVJPM-YZIHRLCOSA-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)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells | J Med Chem 51: 5893-6 (2008) Article DOI: 10.1021/jm8008986 BindingDB Entry DOI: 10.7270/Q26W9C0D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Binding affinity towards opioid Delta receptor using [3H]DADLE as radioligand | Bioorg Med Chem Lett 9: 3347-50 (2000) BindingDB Entry DOI: 10.7270/Q2MK6DDP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Binding affinity towards opioid Delta receptor using [3H]DADLE as radioligand | Bioorg Med Chem Lett 9: 3053-6 (1999) BindingDB Entry DOI: 10.7270/Q28916BJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Affinity of [H]DADLE to the delta opioid receptor from rat brain | J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain | J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain | J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Affinity of [3H]DAMGO to the mu opioid receptor from rat brain | J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Binding affinity towards opioid Mu receptor using [3H]DAMGO as radioligand | Bioorg Med Chem Lett 9: 3347-50 (2000) BindingDB Entry DOI: 10.7270/Q2MK6DDP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Binding affinity towards opioid Mu receptor using [3H]DAMGO as radioligand | Bioorg Med Chem Lett 9: 3053-6 (1999) BindingDB Entry DOI: 10.7270/Q28916BJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor in CHO cells at 10 uM | J Med Chem 51: 5893-6 (2008) Article DOI: 10.1021/jm8008986 BindingDB Entry DOI: 10.7270/Q26W9C0D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor in CHO cells | J Med Chem 51: 5893-6 (2008) Article DOI: 10.1021/jm8008986 BindingDB Entry DOI: 10.7270/Q26W9C0D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor in CHO cells | J Med Chem 51: 5893-6 (2008) Article DOI: 10.1021/jm8008986 BindingDB Entry DOI: 10.7270/Q26W9C0D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Binding affinity against cloned human Opioid receptor kappa 1 using [125I]-D-Pro10-dynorphin A[1-11] as radioligand | J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Binding affinity against cloned human Opioid receptor mu 1 using [125I]FK33824 as radioligand | J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand | J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Evaluated for inhibition of [3H]DAMGO binding from mu receptor in rat brain membranes | J Med Chem 37: 2125-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZG6SWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Tested for inhibition of binding of [3H]DADLE to mouse brain membranes depleted of mu binding sites by pretreatment with irreversible ligand BIT for ... | J Med Chem 37: 2125-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZG6SWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of radioligand [3H]DAMGO binding to rat brain Opioid receptor mu 1 using 100 nM DAMGO | J Med Chem 40: 695-704 (1997) Article DOI: 10.1021/jm960319n BindingDB Entry DOI: 10.7270/Q2F190DS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Agonist activity at human delta opioid receptor in CHO cells assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 51: 5893-6 (2008) Article DOI: 10.1021/jm8008986 BindingDB Entry DOI: 10.7270/Q26W9C0D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Agonist potency was measured using GTP gamma-[35S] binding assay | J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.310 | 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 | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 9.70 | 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 | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of radioligand [3H]DADLE binding to rat brain Opioid receptor delta 1 | J Med Chem 40: 695-704 (1997) Article DOI: 10.1021/jm960319n BindingDB Entry DOI: 10.7270/Q2F190DS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in mouse vas deferens | Bioorg Med Chem Lett 16: 905-10 (2006) Article DOI: 10.1016/j.bmcl.2005.10.102 BindingDB Entry DOI: 10.7270/Q2930VG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of radioligand [3H]DAMGO binding to rat brain Opioid receptor mu 1 using 100 nM DAMGO | J Med Chem 40: 695-704 (1997) Article DOI: 10.1021/jm960319n BindingDB Entry DOI: 10.7270/Q2F190DS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of radioligand [3H]DADLE binding to rat brain Opioid receptor delta 1 | J Med Chem 40: 695-704 (1997) Article DOI: 10.1021/jm960319n BindingDB Entry DOI: 10.7270/Q2F190DS | |||||||||||
More data for this Ligand-Target Pair |