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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 = 'BDBM50448106'   
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))		BDBM50448106
PNG
(CHEMBL3120505)
Show SMILES CCc1cc2n(c(c(C#N)c2cc1F)-c1ccc(cn1)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1ncccn1 |r|
Show InChI InChI=1S/C23H18F4N6O2S/c1-3-14-9-20-16(10-18(14)24)17(11-28)21(33(20)22-29-7-4-8-30-22)19-6-5-15(12-31-19)36(34,35)32-13(2)23(25,26)27/h4-10,12-13,32H,3H2,1-2H3/t13-/m0/s1
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



PTC Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes

J Med Chem 57: 2121-35 (2014)


Article DOI: 10.1021/jm401621g
BindingDB Entry DOI: 10.7270/Q2RR20RN
More data for this
Ligand-Target Pair