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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 = 'BDBM50114369'   
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))		BDBM50114369
PNG
(CHEMBL3604282)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCCC(C1)N2CC=C)c1cccc(OC)c1 |TLB:24:23:18.19.20:22.15.16.14|
Show InChI InChI=1S/C30H41N3O2/c1-5-19-33-26-11-9-12-27(33)22-32(20-18-26)29(25-10-8-13-28(21-25)35-4)23-14-16-24(17-15-23)30(34)31(6-2)7-3/h5,8,10,13-17,21,26-27,29H,1,6-7,9,11-12,18-20,22H2,2-4H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.25E+3n/an/an/an/an/an/an/an/a



Istituto di Farmacologia Traslazionale

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in mouse brain membranes by liquid scintillation counting method

Bioorg Med Chem 23: 5527-38 (2015)


Article DOI: 10.1016/j.bmc.2015.07.036
BindingDB Entry DOI: 10.7270/Q2222WK2
More data for this
Ligand-Target Pair