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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 = 'BDBM50515059'   
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


(Cavia porcellus (domestic guinea pig))		BDBM50515059
PNG
(CHEMBL4528931)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(O)=O)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C20H24N2O6/c1-22-8-7-19-16-11-3-4-13(26-2)17(16)28-18(19)12(21-27-10-15(23)24)5-6-20(19,25)14(22)9-11/h3-4,14,18,25H,5-10H2,1-2H3,(H,23,24)/b21-12-/t14-,18+,19+,20-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis

Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair