Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50201414' 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)) | BDBM50201414
(CHEMBL390271 | N alpha-amidino-Tyr(Me)-Pro-Trp-Phe...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.45,-11.1,;-3.45,-12.64,;-2.12,-13.41,;-.78,-12.64,;.55,-13.41,;.54,-14.95,;1.87,-15.72,;1.87,-17.26,;.54,-18.03,;.54,-19.57,;-.79,-20.34,;1.87,-20.34,;3.21,-18.03,;3.21,-19.57,;4.54,-17.26,;4.7,-15.73,;6.21,-15.42,;6.98,-16.76,;5.94,-17.9,;6.26,-19.4,;5.11,-20.44,;7.72,-19.89,;8.03,-21.4,;6.87,-22.42,;7.18,-23.93,;8.64,-24.42,;8.41,-26.1,;6.9,-26.4,;6.13,-27.71,;4.61,-27.7,;3.85,-26.37,;4.63,-25.05,;6.15,-25.07,;9.49,-21.89,;10.64,-20.87,;9.79,-23.4,;11.25,-23.89,;12.41,-22.87,;13.87,-23.36,;14.17,-24.87,;15.63,-25.36,;16.78,-24.34,;16.47,-22.82,;15.01,-22.34,;11.56,-25.4,;10.41,-26.43,;13.02,-25.89,;-.78,-15.72,;-2.11,-14.96,)| Show InChI InChI=1S/C36H42N8O5/c1-49-25-15-13-23(14-16-25)19-30(43-36(38)39)35(48)44-17-7-12-31(44)34(47)42-29(20-24-21-40-27-11-6-5-10-26(24)27)33(46)41-28(32(37)45)18-22-8-3-2-4-9-22/h2-6,8-11,13-16,21,28-31,40H,7,12,17-20H2,1H3,(H2,37,45)(H,41,46)(H,42,47)(H4,38,39,43)/t28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 792 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor in rat brain synaptosome membrane by radioligand binding assay |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50201414
(CHEMBL390271 | N alpha-amidino-Tyr(Me)-Pro-Trp-Phe...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.45,-11.1,;-3.45,-12.64,;-2.12,-13.41,;-.78,-12.64,;.55,-13.41,;.54,-14.95,;1.87,-15.72,;1.87,-17.26,;.54,-18.03,;.54,-19.57,;-.79,-20.34,;1.87,-20.34,;3.21,-18.03,;3.21,-19.57,;4.54,-17.26,;4.7,-15.73,;6.21,-15.42,;6.98,-16.76,;5.94,-17.9,;6.26,-19.4,;5.11,-20.44,;7.72,-19.89,;8.03,-21.4,;6.87,-22.42,;7.18,-23.93,;8.64,-24.42,;8.41,-26.1,;6.9,-26.4,;6.13,-27.71,;4.61,-27.7,;3.85,-26.37,;4.63,-25.05,;6.15,-25.07,;9.49,-21.89,;10.64,-20.87,;9.79,-23.4,;11.25,-23.89,;12.41,-22.87,;13.87,-23.36,;14.17,-24.87,;15.63,-25.36,;16.78,-24.34,;16.47,-22.82,;15.01,-22.34,;11.56,-25.4,;10.41,-26.43,;13.02,-25.89,;-.78,-15.72,;-2.11,-14.96,)| Show InChI InChI=1S/C36H42N8O5/c1-49-25-15-13-23(14-16-25)19-30(43-36(38)39)35(48)44-17-7-12-31(44)34(47)42-29(20-24-21-40-27-11-6-5-10-26(24)27)33(46)41-28(32(37)45)18-22-8-3-2-4-9-22/h2-6,8-11,13-16,21,28-31,40H,7,12,17-20H2,1H3,(H2,37,45)(H,41,46)(H,42,47)(H4,38,39,43)/t28-,29-,30-,31-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 988 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-induced twitches |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
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