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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 = 'BDBM50136120'   
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))
BDBM50136120
PNG
(7-benzylimino(cyclopropylmethylamino)methylamino-2...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(NC(NCC4CC4)=NCc4ccccc4)cc2c1C[C@@]35O |w:32.37,TLB:17:18:44:7.13.12,3:4:44:7.13.12|
Show InChI InChI=1S/C38H41N5O3/c44-30-13-10-25-16-31-38(45)18-28-27-17-26(41-36(40-20-23-6-7-23)39-19-22-4-2-1-3-5-22)11-12-29(27)42-33(28)35-37(38,32(25)34(30)46-35)14-15-43(31)21-24-8-9-24/h1-5,10-13,17,23-24,31,35,42,44-45H,6-9,14-16,18-21H2,(H2,39,40,41)/t31?,35-,37-,38+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X
More data for this
Ligand-Target Pair