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SMILES: COc1cccc2C(C3CCCCC3)N(CCc12)C(=O)CNC[C@@H](C)O

InChI Key: InChIKey=BOBVAQZASSMOOH-RBFZIWAESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50106723   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50106723
PNG
(CHEMBL3601139)
Show SMILES COc1cccc2C(C3CCCCC3)N(CCc12)C(=O)CNC[C@@H](C)O |r|
Show InChI InChI=1S/C21H32N2O3/c1-15(24)13-22-14-20(25)23-12-11-17-18(9-6-10-19(17)26-2)21(23)16-7-4-3-5-8-16/h6,9-10,15-16,21-22,24H,3-5,7-8,11-14H2,1-2H3/t15-,21?/m1/s1
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Similars
PubMed
n/an/a<780n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay

Bioorg Med Chem 23: 4638-48 (2015)


BindingDB Entry DOI: 10.7270/Q27D2WXJ
More data for this
Ligand-Target Pair