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SMILES: [H][C@@]12CC[C@@](C)([C@@H](CC(OC)OC)C(=O)OC)[C@H](C(=O)OC)[C@@]1(C)C[C@H](OC2=O)c1ccoc1

InChI Key: InChIKey=QRSNDFJDBBGKDP-NXGZAZRVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50265927   
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))		BDBM50265927
PNG
(CHEMBL4093687)
Show SMILES [H][C@@]12CC[C@@](C)([C@@H](CC(OC)OC)C(=O)OC)[C@H](C(=O)OC)[C@@]1(C)C[C@H](OC2=O)c1ccoc1 |r|
Show InChI InChI=1S/C24H34O9/c1-23(16(20(25)30-5)11-18(28-3)29-4)9-7-15-21(26)33-17(14-8-10-32-13-14)12-24(15,2)19(23)22(27)31-6/h8,10,13,15-19H,7,9,11-12H2,1-6H3/t15-,16-,17-,19-,23-,24-/m0/s1
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PC cid
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Article
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n/an/an/an/a 12n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-type opioid receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 30 mins in prese...

J Med Chem 60: 3866-3878 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00148
BindingDB Entry DOI: 10.7270/Q2K93B08
More data for this
Ligand-Target Pair