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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 = 'BDBM50443195'   
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))		BDBM50443195
PNG
(CHEMBL3087343)
Show SMILES C[C@H](C(=O)Nc1ccc(cc1)-c1ccnc(C)c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F6N2O/c1-13-9-16(7-8-30-13)15-3-5-20(6-4-15)31-21(32)14(2)17-10-18(22(24,25)26)12-19(11-17)23(27,28)29/h3-12,14H,1-2H3,(H,31,32)/t14-/m0/s1
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins

Bioorg Med Chem Lett 23: 6447-54 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S
More data for this
Ligand-Target Pair