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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 = 'BDBM50436481'   
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))		BDBM50436481
PNG
(CHEMBL2397305)
Show SMILES Cc1nc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)sc1-c1ccc(N)nc1
Show InChI InChI=1S/C24H22N6O2S/c1-16-22(19-7-8-20(25)27-13-19)33-24(28-16)29-21(31)15-30(14-17-5-3-2-4-6-17)23(32)18-9-11-26-12-10-18/h2-13H,14-15H2,1H3,(H2,25,27)(H,28,29,31)
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair