BDBM50014995 CHEMBL3262090::US9259422, 13a, R = Ph-BU126::US9480684, 13a, R = Ph- BU126
SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@H](O)c1ccccc1)ccc3O
InChI Key: InChIKey=QYHVPWDIPSDDCT-QDVRVZIDSA-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)) | BDBM50014995 (CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.25 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
The University of Bath US Patent | Assay Description As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen... | US Patent US9480684 (2016) BindingDB Entry DOI: 10.7270/Q29885ZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50014995 (CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.25 | -12.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
The University of Bath US Patent | Assay Description As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presence ... | US Patent US9259422 (2016) BindingDB Entry DOI: 10.7270/Q2DJ5DG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50014995 (CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis | J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50014995 (CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 2.55 | -11.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
The University of Bath US Patent | Assay Description As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presence ... | US Patent US9259422 (2016) BindingDB Entry DOI: 10.7270/Q2DJ5DG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50014995 (CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 2.55 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
The University of Bath US Patent | Assay Description As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen... | US Patent US9480684 (2016) BindingDB Entry DOI: 10.7270/Q29885ZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50014995 (CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys... | J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50014995 (CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 4.40 | -11.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
The University of Bath US Patent | Assay Description As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presence ... | US Patent US9259422 (2016) BindingDB Entry DOI: 10.7270/Q2DJ5DG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50014995 (CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal... | J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50014995 (CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
The University of Bath US Patent | Assay Description As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen... | US Patent US9480684 (2016) BindingDB Entry DOI: 10.7270/Q29885ZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50014995 (CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Agonist activity at human mu opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plate l... | J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50014995 (CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...) | 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 | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat... | J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50014995 (CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...) | 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 | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat... | J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62 | |||||||||||
More data for this Ligand-Target Pair |