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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 = 'BDBM50443200'   
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))		BDBM50443200
PNG
(CHEMBL3087043)
Show SMILES CCCc1cc(ccn1)-c1ccc(NS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C22H18F6N2O2S/c1-2-3-19-10-15(8-9-29-19)14-4-6-18(7-5-14)30-33(31,32)20-12-16(21(23,24)25)11-17(13-20)22(26,27)28/h4-13,30H,2-3H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.80E+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