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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 = 'BDBM50443202'   
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))		BDBM50443202
PNG
(CHEMBL3087041)
Show SMILES FC(F)(F)c1cc(cc(c1)S(=O)(=O)Nc1ccc(cc1)-c1ccnc(C=C)c1)C(F)(F)F
Show InChI InChI=1S/C21H14F6N2O2S/c1-2-17-9-14(7-8-28-17)13-3-5-18(6-4-13)29-32(30,31)19-11-15(20(22,23)24)10-16(12-19)21(25,26)27/h2-12,29H,1H2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 700n/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