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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 = 'BDBM254164'   
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))		BDBM254164
PNG
(US10112937, Example 44 | US10150765, Example 44 | ...)
Show SMILES C[C@H]1N(CCc2c1ncn2-c1ccccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C20H16ClF3N4O/c1-12-18-15(28(11-26-18)16-7-2-3-9-25-16)8-10-27(12)19(29)13-5-4-6-14(17(13)21)20(22,23)24/h2-7,9,11-12H,8,10H2,1H3/t12-/m1/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 Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins by LC/MS/MS analysis

J Med Chem 59: 8535-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00989
BindingDB Entry DOI: 10.7270/Q28K7C1M
More data for this
Ligand-Target Pair