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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1/Mu-type opioid receptor' and Ligand = 'BDBM50081526'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50081526
PNG
((S)-2-Amino-N-{(R)-1-[({(S)-2-[N'-((R)-2-amino-3-p...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C32H39N7O6/c1-20(36-30(43)25(33)17-23-12-14-24(40)15-13-23)29(42)35-19-28(41)37-27(18-22-10-6-3-7-11-22)32(45)39-38-31(44)26(34)16-21-8-4-2-5-9-21/h2-15,20,25-27,40H,16-19,33-34H2,1H3,(H,35,42)(H,36,43)(H,37,41)(H,38,44)(H,39,45)/t20-,25+,26-,27+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.740n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro binding affinity towards mu opioid receptors was determined using [3H]-[p-Cl-Phe]- 4] DPDPE or [3H]-Deltorphin II


Bioorg Med Chem Lett 9: 2763-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T7W
More data for this
Ligand-Target Pair