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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 = 'BDBM50544366'   
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))		BDBM50544366
PNG
(CHEMBL4647963)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair