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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 = 'BDBM50062536'   
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


(Rattus norvegicus (rat))		BDBM50062536
PNG
(CHEMBL3397596)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(OCCCF)cc2CN1 |r|
Show InChI InChI=1S/C31H44FN3O3/c1-21(2)29(20-35-13-11-31(4,22(3)19-35)25-7-5-8-26(36)17-25)34-30(37)28-16-23-9-10-27(38-14-6-12-32)15-24(23)18-33-28/h5,7-10,15,17,21-22,28-29,33,36H,6,11-14,16,18-20H2,1-4H3,(H,34,37)/t22-,28+,29+,31+/m0/s1
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Similars
Article
PubMed
 8.20n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from rat recombinant kappa opioid receptor expressed in CHO cells after 60 mins

Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair