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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 = 'BDBM409572'   
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))		BDBM409572
PNG
(N,N-Dimethyl-2-[6-[5-(trifluoromethyl)-2-thienyl]p...)
Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3OS/c1-21(2)15(23)9-22-6-5-11-12(22)7-10(8-20-11)13-3-4-14(24-13)16(17,18)19/h3-8H,9H2,1-2H3
PDB

UniProtKB/SwissProt

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



Janssen Research & Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes

ACS Med Chem Lett 10: 261-266 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00542
BindingDB Entry DOI: 10.7270/Q2B85CG6
More data for this
Ligand-Target Pair