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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 = 'BDBM50140039'   
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))		BDBM50140039
PNG
(CHEMBL3764556)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r|
Show InChI InChI=1S/C37H43N7O7/c38-28(17-22-8-12-25(45)13-9-22)34(48)42-30-7-3-4-16-39-33(47)21-41-35(49)31(18-23-10-14-26(46)15-11-23)43-37(51)32(44-36(30)50)19-24-20-40-29-6-2-1-5-27(24)29/h1-2,5-6,8-15,20,28,30-32,40,45-46H,3-4,7,16-19,21,38H2,(H,39,47)(H,41,49)(H,42,48)(H,43,51)(H,44,50)/t28-,30+,31-,32-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.16E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from guinea pig KOR after 2 hrs by liquid scintillation counting method

J Med Chem 59: 1239-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01899
BindingDB Entry DOI: 10.7270/Q2CV4KKT
More data for this
Ligand-Target Pair