Found 9 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50474150' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50474150
(CHEMBL58362)Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 56: 4840-8 (2013)
Article DOI: 10.1021/jm400143z BindingDB Entry DOI: 10.7270/Q2FT8PZS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50474150
(CHEMBL58362)Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 0.0871 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chiba University
Curated by ChEMBL
| Assay Description Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand |
J Med Chem 45: 1949-56 (2002)
Article DOI: 10.1021/jm010576e BindingDB Entry DOI: 10.7270/Q2WS8X0T |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50474150
(CHEMBL58362)Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan Kettering Cancer Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins |
J Med Chem 59: 8381-97 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50474150
(CHEMBL58362)Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.282 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description Inhibition of mu opioid receptor (unknown origin) in presence of DPDPE by [35S]-GTPgammaS binding assay |
Eur J Med Chem 183: (2019)
Article DOI: 10.1016/j.ejmech.2019.111701 BindingDB Entry DOI: 10.7270/Q2668HN9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50474150
(CHEMBL58362)Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description Inhibition of mu opioid receptor (unknown origin) in presence of DAMGO by [35S]-GTPgammaS binding assay |
Eur J Med Chem 183: (2019)
Article DOI: 10.1016/j.ejmech.2019.111701 BindingDB Entry DOI: 10.7270/Q2668HN9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50474150
(CHEMBL58362)Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of DAMGO-induced beta-arrestin-2 recruitment at mu opioid receptor-1 (unknown origin) expressed in CHO cells preincubated for 30 mins foll... |
J Med Chem 59: 8381-97 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50474150
(CHEMBL58362)Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description Inhibition of mu opioid receptor (unknown origin) in presence of DPDPE by [35S]-GTPgammaS binding assay |
Eur J Med Chem 183: (2019)
Article DOI: 10.1016/j.ejmech.2019.111701 BindingDB Entry DOI: 10.7270/Q2668HN9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mu-type opioid receptor
(MOUSE) | BDBM50474150
(CHEMBL58362)Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Memorial Sloan Kettering Cancer Center
Curated by ChEMBL
| Assay Description Agonist activity at mouse mu opioid receptor-1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding incubated for 60 mins by scintillat... |
J Med Chem 59: 8381-97 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50474150
(CHEMBL58362)Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description Inhibition of mu opioid receptor (unknown origin) in presence of DAMGO by [35S]-GTPgammaS binding assay |
Eur J Med Chem 183: (2019)
Article DOI: 10.1016/j.ejmech.2019.111701 BindingDB Entry DOI: 10.7270/Q2668HN9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |