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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 = 'BDBM50506948'   
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))		BDBM50506948
PNG
(CHEMBL4448806)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.62E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 4His-tagged CYP2D6 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair