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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 = 'BDBM50531732'   
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))		BDBM50531732
PNG
(CHEMBL4455140)
Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I
Show InChI InChI=1S/C8H12IN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal do Pampa

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes by HPLC-MS/MS analysis

J Med Chem 62: 1231-1245 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01305
BindingDB Entry DOI: 10.7270/Q2FT8QHC
More data for this
Ligand-Target Pair