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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 = 'BDBM50136122'   
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))
BDBM50136122
PNG
(7-benzylamino(imino)methylamino-22-cyclopropylmeth...)
Show SMILES NC(NCc1ccccc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:10.11,TLB:19:20:32:24.30.29,38:21:32:24.30.29|
Show InChI InChI=1S/C34H35N5O3/c35-32(36-17-19-4-2-1-3-5-19)37-22-9-10-25-23(15-22)24-16-34(41)27-14-21-8-11-26(40)30-28(21)33(34,31(42-30)29(24)38-25)12-13-39(27)18-20-6-7-20/h1-5,8-11,15,20,27,31,38,40-41H,6-7,12-14,16-18H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
10n/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