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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 = 'BDBM50102095'   
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))		BDBM50102095
PNG
(CHEMBL3326659)
Show SMILES CN[C@H](CNCC(=O)N(C)CCN(C)[C@H](CN[C@H](CN)CC(C)C)Cc1ccccc1)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C31H52N6O2/c1-24(2)17-27(20-32)35-22-29(19-25-9-7-6-8-10-25)36(4)15-16-37(5)31(39)23-34-21-28(33-3)18-26-11-13-30(38)14-12-26/h6-14,24,27-29,33-35,38H,15-23,32H2,1-5H3/t27-,28-,29-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.11E+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