Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50130604' 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)) | BDBM50130604
(19-methoxy-24-methyl-26-(1-methylethylidene)-4,24-...)Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5C(C[C@]34Cc3c5[nH]c4ccccc34)=C(C)C)c2c1O |wU:16.15,wD:13.21,12.34,TLB:31:30:16:8.11.10,4:5:16:8.11.10,(4.88,-6.62,;4.27,-5.21,;5.18,-3.97,;4.56,-2.57,;5.49,-1.33,;7,-1.5,;7.93,-.26,;9.45,-.44,;10.22,.9,;11.44,1.83,;8.73,.51,;8.37,-1.76,;9.15,-3.09,;9.77,-4.51,;12.49,-1.52,;11.16,-.75,;10.06,-1.85,;11.6,-2.01,;12.21,-3.43,;11.3,-4.67,;12.21,-5.91,;13.67,-5.44,;15,-6.21,;16.33,-5.44,;16.33,-3.89,;15,-3.13,;13.67,-3.9,;14,-1.28,;14.56,.16,;14.96,-2.48,;7.61,-2.92,;6.7,-4.15,;7.31,-5.56,)| Show InChI InChI=1S/C29H32N2O2/c1-16(2)19-14-28-15-20-18-7-5-6-8-21(18)30-26(20)25(19)29(28)11-12-31(3)23(28)13-17-9-10-22(33-4)27(32)24(17)29/h5-10,23,25,30,32H,11-15H2,1-4H3/t23?,25-,28+,29+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Binding affinity for human Opioid receptor mu 1 transfected into chinese hamster ovary cells by displacing [3H]DAMGO radioligand |
J Med Chem 46: 3174-7 (2003)
Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50130604
(19-methoxy-24-methyl-26-(1-methylethylidene)-4,24-...)Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5C(C[C@]34Cc3c5[nH]c4ccccc34)=C(C)C)c2c1O |wU:16.15,wD:13.21,12.34,TLB:31:30:16:8.11.10,4:5:16:8.11.10,(4.88,-6.62,;4.27,-5.21,;5.18,-3.97,;4.56,-2.57,;5.49,-1.33,;7,-1.5,;7.93,-.26,;9.45,-.44,;10.22,.9,;11.44,1.83,;8.73,.51,;8.37,-1.76,;9.15,-3.09,;9.77,-4.51,;12.49,-1.52,;11.16,-.75,;10.06,-1.85,;11.6,-2.01,;12.21,-3.43,;11.3,-4.67,;12.21,-5.91,;13.67,-5.44,;15,-6.21,;16.33,-5.44,;16.33,-3.89,;15,-3.13,;13.67,-3.9,;14,-1.28,;14.56,.16,;14.96,-2.48,;7.61,-2.92,;6.7,-4.15,;7.31,-5.56,)| Show InChI InChI=1S/C29H32N2O2/c1-16(2)19-14-28-15-20-18-7-5-6-8-21(18)30-26(20)25(19)29(28)11-12-31(3)23(28)13-17-9-10-22(33-4)27(32)24(17)29/h5-10,23,25,30,32H,11-15H2,1-4H3/t23?,25-,28+,29+/m1/s1 | 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 | 1.02E+3 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Effective concentration agonistic activity towards Opioid receptor mu 1 |
J Med Chem 46: 3174-7 (2003)
Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD |
More data for this Ligand-Target Pair | |