Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50268530' 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)) | BDBM50268530
((3S,6R,9S,14aR)-3,9-dibenzyl-6-methyldecahydropyrr...)Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C26H30N4O4/c1-17-23(31)29-21(16-19-11-6-3-7-12-19)26(34)30-14-8-13-22(30)25(33)28-20(24(32)27-17)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-22H,8,13-16H2,1H3,(H,27,32)(H,28,33)(H,29,31)/t17-,20+,21+,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 775 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01915 BindingDB Entry DOI: 10.7270/Q22B931S |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50268530
((3S,6R,9S,14aR)-3,9-dibenzyl-6-methyldecahydropyrr...)Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C26H30N4O4/c1-17-23(31)29-21(16-19-11-6-3-7-12-19)26(34)30-14-8-13-22(30)25(33)28-20(24(32)27-17)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-22H,8,13-16H2,1H3,(H,27,32)(H,28,33)(H,29,31)/t17-,20+,21+,22-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+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 cloned mu receptor by cell based assay |
Bioorg Med Chem Lett 19: 3647-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.105 BindingDB Entry DOI: 10.7270/Q2HT2Q8K |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50268530
((3S,6R,9S,14aR)-3,9-dibenzyl-6-methyldecahydropyrr...)Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C26H30N4O4/c1-17-23(31)29-21(16-19-11-6-3-7-12-19)26(34)30-14-8-13-22(30)25(33)28-20(24(32)27-17)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-22H,8,13-16H2,1H3,(H,27,32)(H,28,33)(H,29,31)/t17-,20+,21+,22-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01915 BindingDB Entry DOI: 10.7270/Q22B931S |
More data for this Ligand-Target Pair | |