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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50325864'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325864
PNG
(CHEMBL1224069 | endo-6-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)18-7-4-8-19(22-18)25-17-11-15-9-10-16(12-17)23(15)13-14-5-2-1-3-6-14/h1-8,15-17H,9-13H2,(H2,21,24)/t15-,16+,17+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in HEK cells assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
BindingDB Entry DOI: 10.7270/Q2X92BHQ
More data for this
Ligand-Target Pair