BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50501820'   
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))		BDBM50501820
PNG
(CHEMBL4528087)
Show SMILES COc1ccc(cc1)-c1nc(C)nn1-c1cccc(c1)C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C27H28N4O2/c1-20-29-26(22-14-16-25(33-2)17-15-22)31(30-20)24-13-8-12-23(19-24)27(32)28-18-7-6-11-21-9-4-3-5-10-21/h3-5,8-10,12-17,19H,6-7,11,18H2,1-2H3,(H,28,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.41E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using tolbutamide as substrate preincubated for 5 mins followed by NADPH-generating system addition an...

J Med Chem 62: 4949-4966 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00059
BindingDB Entry DOI: 10.7270/Q2XS5ZNX
More data for this
Ligand-Target Pair