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SMILES: [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1coc(c1)C(F)(F)F)C(=O)OC

InChI Key: InChIKey=NTAXWQDPRVHIRF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50099654   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50099654
PNG
(CHEMBL3359811)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1coc(c1)C(F)(F)F)C(=O)OC |r|
Show InChI InChI=1S/C21H14ClF2N3O/c22-16-6-2-4-8-19(16)27-20(28)15-11-14(23)9-10-18(15)26-21(27)25-12-13-5-1-3-7-17(13)24/h1-11H,12H2,(H,25,26)
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n/an/an/an/a 3.10n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assa...

J Med Chem 57: 10464-75 (2014)


Article DOI: 10.1021/jm501521d
BindingDB Entry DOI: 10.7270/Q2J38V6P
More data for this
Ligand-Target Pair