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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 = 'BDBM50251202'   
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))		BDBM50251202
PNG
(CHEMBL3936866)
Show SMILES [H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H15F4N7O/c1-9-5-14-13(26-27-29(14)17-24-6-11(19)7-25-17)8-28(9)16(30)12-3-4-23-15(10(12)2)18(20,21)22/h3-4,6-7,9H,5,8H2,1-2H3/t9-/m0/s1
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 , 3210 Merryfield Row, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate

J Med Chem 61: 207-223 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01279
BindingDB Entry DOI: 10.7270/Q26T0Q2B
More data for this
Ligand-Target Pair