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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 = 'BDBM50443197'   
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))		BDBM50443197
PNG
(CHEMBL3087341)
Show SMILES Cc1cc(ccn1)-c1ccc(NC(=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C22H16F6N2O/c1-13-8-16(6-7-29-13)15-2-4-19(5-3-15)30-20(31)11-14-9-17(21(23,24)25)12-18(10-14)22(26,27)28/h2-10,12H,11H2,1H3,(H,30,31)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.30E+4n/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