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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 = 'BDBM50206858'   
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))		BDBM50206858
PNG
(CHEMBL3921905)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccncc3)n2)n[nH]1
Show InChI InChI=1S/C18H19N7O/c1-12-9-16(22-17-10-13(2)24-25-17)23-18(15(12)11-19)21-7-8-26-14-3-5-20-6-4-14/h3-6,9-10H,7-8H2,1-2H3,(H3,21,22,23,24,25)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



CXS Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

Bioorg Med Chem Lett 26: 5860-5862 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.020
BindingDB Entry DOI: 10.7270/Q2WS8W80
More data for this
Ligand-Target Pair