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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 = 'BDBM50521440'   
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))		BDBM50521440
PNG
(CHEMBL4460430)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cccc(Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C25H28N2O2.C2HF3O2/c1-17-11-22(28)12-18(2)23(17)15-24(26)25(29)27-16-21-10-6-9-20(14-21)13-19-7-4-3-5-8-19;3-2(4,5)1(6)7/h3-12,14,24,28H,13,15-16,26H2,1-2H3,(H,27,29);(H,6,7)/t24-;/m0./s1
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 410n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair