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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 = 'BDBM50107747'   
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))		BDBM50107747
PNG
(CHEMBL3600830)
Show SMILES CC1CCN(CCOc2ccc(cc2)C#Cc2ccc(cn2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H27ClN2O/c1-21-14-16-30(17-15-21)18-19-31-27-12-3-22(4-13-27)2-10-26-11-7-24(20-29-26)23-5-8-25(28)9-6-23/h3-9,11-13,20-21H,14-19H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 receptor (unknown origin)

Bioorg Med Chem Lett 25: 3264-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.077
BindingDB Entry DOI: 10.7270/Q25D8TMB
More data for this
Ligand-Target Pair