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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 = 'BDBM50102028'   
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))		BDBM50102028
PNG
(CHEMBL3326665)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C31H43N5O5/c1-20(2)17-24(28(32)38)34-29(39)27(19-21-9-6-5-7-10-21)35(4)31(41)26-11-8-16-36(26)30(40)25(33-3)18-22-12-14-23(37)15-13-22/h5-7,9-10,12-15,20,24-27,33,37H,8,11,16-19H2,1-4H3,(H2,32,38)(H,34,39)/t24-,25-,26?,27-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.03E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis

Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair