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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 = 'BDBM142234'   
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))		BDBM142234
PNG
(US8933098, 1 | US8933099, 1)
Show SMILES Cc1ccc(nc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)N1CCC(O)CC1
Show InChI InChI=1S/C21H25N3O4/c1-12-4-5-17(24-8-6-16(25)7-9-24)22-19(12)20(26)23-18-13(2)10-15(21(27)28)11-14(18)3/h4-5,10-11,16,25H,6-9H2,1-3H3,(H,23,26)(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

Bioorg Med Chem Lett 26: 2303-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.041
BindingDB Entry DOI: 10.7270/Q22F7QBJ
More data for this
Ligand-Target Pair