Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50121663' 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
(Rattus norvegicus (rat)) | BDBM50121663
![PNG](/data/jpeg/tenK5012/BindingDB_50121663.png) (CHEMBL3616880)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C91H123N23O18S/c92-61(41-54-31-33-58(116)34-32-54)83(126)110-38-14-29-70(110)81(124)108-66(43-53-19-5-2-6-20-53)78(121)107-65(42-52-17-3-1-4-18-52)77(120)104-62(25-11-35-99-89(93)94)76(119)105-63(26-12-36-100-90(95)96)84(127)111-39-15-30-71(111)86(129)113-50-59(117)46-72(113)80(123)102-48-75(118)103-67(47-60-24-16-40-133-60)79(122)109-68(51-115)85(128)112-49-57-23-8-7-21-55(57)44-74(112)87(130)114-69-28-10-9-22-56(69)45-73(114)82(125)106-64(88(131)132)27-13-37-101-91(97)98/h1-8,16-21,23-24,31-34,40,56,59,61-74,115-117H,9-15,22,25-30,35-39,41-51,92H2,(H,102,123)(H,103,118)(H,104,120)(H,105,119)(H,106,125)(H,107,121)(H,108,124)(H,109,122)(H,131,132)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t56?,59?,61-,62+,63-,64-,65-,66-,67?,68-,69?,70-,71-,72?,73?,74+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014 BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121663
![PNG](/data/jpeg/tenK5012/BindingDB_50121663.png) (CHEMBL3616880)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C91H123N23O18S/c92-61(41-54-31-33-58(116)34-32-54)83(126)110-38-14-29-70(110)81(124)108-66(43-53-19-5-2-6-20-53)78(121)107-65(42-52-17-3-1-4-18-52)77(120)104-62(25-11-35-99-89(93)94)76(119)105-63(26-12-36-100-90(95)96)84(127)111-39-15-30-71(111)86(129)113-50-59(117)46-72(113)80(123)102-48-75(118)103-67(47-60-24-16-40-133-60)79(122)109-68(51-115)85(128)112-49-57-23-8-7-21-55(57)44-74(112)87(130)114-69-28-10-9-22-56(69)45-73(114)82(125)106-64(88(131)132)27-13-37-101-91(97)98/h1-8,16-21,23-24,31-34,40,56,59,61-74,115-117H,9-15,22,25-30,35-39,41-51,92H2,(H,102,123)(H,103,118)(H,104,120)(H,105,119)(H,106,125)(H,107,121)(H,108,124)(H,109,122)(H,131,132)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t56?,59?,61-,62+,63-,64-,65-,66-,67?,68-,69?,70-,71-,72?,73?,74+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014 BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this Ligand-Target Pair | |