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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 = 'BDBM50160839'   
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))		BDBM50160839
PNG
(CHEMBL181922 | N-[3-((S)-1-{Methyl-[2-(4-trifluoro...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=O)CCC(O)=O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H30F3N3O4/c1-31(24(34)15-18-7-9-20(10-8-18)26(27,28)29)22(17-32-13-2-3-14-32)19-5-4-6-21(16-19)30-23(33)11-12-25(35)36/h4-10,16,22H,2-3,11-15,17H2,1H3,(H,30,33)(H,35,36)/t22-/m1/s1
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 9.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor

Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
BindingDB Entry DOI: 10.7270/Q2JW8DCG
More data for this
Ligand-Target Pair