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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 = 'BDBM50274775'   
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))		BDBM50274775
PNG
(CHEMBL457735 | N-hexyl-[(5R,6R)-17-(cyclopropylmet...)
Show SMILES CCCCCCN[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,TLB:9:10:14.30.13:23.25.24,THB:11:10:14.30.13:23.25.24|
Show InChI InChI=1S/C26H38N2O3/c1-2-3-4-5-13-27-19-10-11-26(30)21-15-18-8-9-20(29)23-22(18)25(26,24(19)31-23)12-14-28(21)16-17-6-7-17/h8-9,17,19,21,24,27,29-30H,2-7,10-16H2,1H3/t19-,21-,24+,25+,26-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/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