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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50274257   
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


(Mus musculus (Mouse))		BDBM50274257
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccco1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)9-7-19-3-2-14-34-19)20-10-11-28(33)22-15-18-6-8-21(31)25-24(18)27(28,26(20)35-25)12-13-30(22)16-17-4-5-17/h2-3,6-9,14,17,20,22,26,31,33H,4-5,10-13,15-16H2,1H3/b9-7+/t20-,22-,26+,27+,28-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.550n/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