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BDBM50274774 CHEMBL456659::N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-hexanamide

SMILES: CCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45

InChI Key: InChIKey=SLGBAFYURUZUNX-HFXSLSFNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50274774   
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


(Mus musculus (Mouse))		BDBM50274774
PNG
(CHEMBL456659 | N-[(5R,6R)-17-(Cyclopropylmethyl)-4...)
Show SMILES CCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:15.31.14:24.26.25,THB:12:11:15.31.14:24.26.25|
Show InChI InChI=1S/C26H36N2O4/c1-2-3-4-5-21(30)27-18-10-11-26(31)20-14-17-8-9-19(29)23-22(17)25(26,24(18)32-23)12-13-28(20)15-16-6-7-16/h8-9,16,18,20,24,29,31H,2-7,10-15H2,1H3,(H,27,30)/t18-,20-,24+,25+,26-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC sid
UniChem

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction

Bioorg Med Chem 16: 9188-201 (2008)


Article DOI: 10.1016/j.bmc.2008.09.011
BindingDB Entry DOI: 10.7270/Q2736RVD
More data for this
Ligand-Target Pair