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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 = 'BDBM50269634'   
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))		BDBM50269634
PNG
(CHEMBL4079574)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2|
Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21+,22+/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.20n/an/an/an/an/an/an/an/a



Department of Drug Sciences, Medicinal Chemistry Section, University of Catania, Viale A. Doria 6, 95125 Catania, Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-U69,593 from KOR in guinea pig brain membranes by liquid scintillation counting analysis

Bioorg Med Chem 25: 4745-4752 (2017)


Article DOI: 10.1016/j.bmc.2017.07.021
BindingDB Entry DOI: 10.7270/Q2S46VG1
More data for this
Ligand-Target Pair