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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 = 'BDBM50545177'   
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))		BDBM50545177
PNG
(CHEMBL4635770)
Show SMILES [H][C@@]12COCC[C@@]1(N=C(N)C(F)(F)C2)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:8|
Show InChI InChI=1S/C20H19F4N5O3/c21-10-32-16-8-26-15(7-27-16)17(30)28-12-1-2-14(22)13(5-12)19-3-4-31-9-11(19)6-20(23,24)18(25)29-19/h1-2,5,7-8,11H,3-4,6,9-10H2,(H2,25,29)(H,28,30)/t11-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126999
BindingDB Entry DOI: 10.7270/Q2W95DRH
More data for this
Ligand-Target Pair