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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 = 'BDBM50491420'   
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


(Homo sapiens (Human))		BDBM50491420
PNG
(CHEMBL2381590)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CCC(O)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1S/C25H30O10/c1-24-8-6-14-23(31)35-17(13-7-9-33-12-13)11-25(14,2)21(24)20(29)16(10-15(24)22(30)32-3)34-19(28)5-4-18(26)27/h7,9,12,14-17,21H,4-6,8,10-11H2,1-3H3,(H,26,27)/t14-,15-,16-,17-,21-,24-,25-/m0/s1
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PC cid
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Article
PubMed
 4.07E+3n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor (unknown origin)

Bioorg Med Chem Lett 23: 2860-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.111
BindingDB Entry DOI: 10.7270/Q22V2K13
More data for this
Ligand-Target Pair