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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 = 'BDBM50269433'   
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))		BDBM50269433
PNG
(CHEMBL4102920)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)S(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C21H24N6O3S/c1-15-4-6-17(7-5-15)31(29,30)26-10-11-27(16(2)13-26)21-24-19(12-20(28)25(21)3)18-8-9-22-14-23-18/h4-9,12,14,16H,10-11,13H2,1-3H3/t16-/m1/s1
PDB

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair