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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 = 'BDBM370467'   
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))		BDBM370467
PNG
(4-(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)- 1-...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(=O)CC1
Show InChI InChI=1S/C18H19FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-11,15,17,23H,4-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.50E+4n/an/an/an/an/an/a



NewLink Genetics Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 62: 6705-6733 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00662
BindingDB Entry DOI: 10.7270/Q21G0QNZ
More data for this
Ligand-Target Pair