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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 = 'BDBM50380908'   
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))		BDBM50380908
PNG
(CHEMBL2016677)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N(C1)C(=O)C1CC1 |r,THB:26:24:22.21:14.15|
Show InChI InChI=1S/C25H30N2O4/c28-17-6-5-16-11-18-25-8-7-23(30,13-27(25)21(29)15-3-4-15)22-24(25,19(16)20(17)31-22)9-10-26(18)12-14-1-2-14/h5-6,14-15,18,22,28,30H,1-4,7-13H2/t18-,22+,23-,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 9.91n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in guinea pig cerebellum membrane

Bioorg Med Chem Lett 22: 2689-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.001
BindingDB Entry DOI: 10.7270/Q24X58T4
More data for this
Ligand-Target Pair