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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 = 'BDBM50054439'   
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))		BDBM50054439
PNG
((S)-3-Amino-N-[3-((S)-1-{[2-(3,4-dichloro-phenyl)-...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=O)[C@@H](N)CC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N4O4/c1-30(23(32)12-16-7-8-19(26)20(27)11-16)22(15-31-9-2-3-10-31)17-5-4-6-18(13-17)29-25(35)21(28)14-24(33)34/h4-8,11,13,21-22H,2-3,9-10,12,14-15,28H2,1H3,(H,29,35)(H,33,34)/t21-,22+/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.340n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity and selectivity by competitive inhibition of radioligands on opoid kappa receptor in guinea pig brain me...

J Med Chem 39: 4478-82 (1996)


Article DOI: 10.1021/jm960459x
BindingDB Entry DOI: 10.7270/Q2N878WW
More data for this
Ligand-Target Pair