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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50174958   
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
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50174958
PNG
((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1CCc2ccccc2O1
Show InChI InChI=1S/C23H28N2O3/c1-24(23(27)22-12-11-18-9-5-6-10-21(18)28-22)20(17-7-3-2-4-8-17)16-25-14-13-19(26)15-25/h2-10,19-20,22,26H,11-16H2,1H3/t19-,20+,22-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP2D6

Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair