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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 = 'BDBM50354998'   
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


(Cavia porcellus (domestic guinea pig))		BDBM50354998
PNG
(CHEMBL1834895)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C44H51N3O9/c48-26-7-5-24-17-28-43(50)11-9-41(35-39(43,31(24)33(26)53-35)13-15-45(28)19-22-1-2-22)37-47-30(21-52-37)55-42(38(47)56-41)10-12-44(51)29-18-25-6-8-27(49)34-32(25)40(44,36(42)54-34)14-16-46(29)20-23-3-4-23/h5-8,22-23,28-30,35-38,48-51H,1-4,9-21H2/t28-,29-,30+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from guinea pig kappa opioid receptor in cerebellum

Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
More data for this
Ligand-Target Pair