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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50106730'   
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))		BDBM50106730
PNG
(CHEMBL3601152)
Show SMILES COc1cccc2CCN(C(C3CCCCC3)c12)C(=O)CNC[C@@H](C)O |r|
Show InChI InChI=1S/C21H32N2O3/c1-15(24)13-22-14-19(25)23-12-11-16-9-6-10-18(26-2)20(16)21(23)17-7-4-3-5-8-17/h6,9-10,15,17,21-22,24H,3-5,7-8,11-14H2,1-2H3/t15-,21?/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.02E+4n/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)


Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ
More data for this
Ligand-Target Pair