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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 = 'BDBM50096714'   
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


(Homo sapiens (Human))		BDBM50096714
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phen...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C31H44N6O6/c1-17(2)11-25(28(33)40)37-31(43)26(14-21-9-7-6-8-10-21)36-27(39)16-34-29(41)20(5)35-30(42)24(32)15-23-18(3)12-22(38)13-19(23)4/h6-10,12-13,17,20,24-26,38H,11,14-16,32H2,1-5H3,(H2,33,40)(H,34,41)(H,35,42)(H,36,39)(H,37,43)/t20-,24-,25-,26-/m0/s1
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Similars
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor kappa 1

Bioorg Med Chem Lett 11: 323-5 (2001)


BindingDB Entry DOI: 10.7270/Q290231V
More data for this
Ligand-Target Pair