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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu/kappa/delta' and Ligand = 'BDBM50000087'   
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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50000087
PNG
(3-(2-Cyclopropylmethyl-octahydro-isoquinolin-4a-yl...)
Show SMILES Oc1cccc(c1)C12CCCC[C@H]1CN(CC1CC1)CC2
Show InChI InChI=1S/C19H27NO/c21-18-6-3-5-16(12-18)19-9-2-1-4-17(19)14-20(11-10-19)13-15-7-8-15/h3,5-6,12,15,17,21H,1-2,4,7-11,13-14H2/t17-,19?/m0/s1
PDB

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum


J Med Chem 35: 48-56 (1992)


Article DOI: 10.1021/jm00079a005
BindingDB Entry DOI: 10.7270/Q2J105DC
More data for this
Ligand-Target Pair