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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 = 'BDBM50474149'   
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))		BDBM50474149
PNG
(CHEBI:70073 | Corynanrheidine)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2ccccc12)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 2.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2D6 in human liver microsomes assessed as inhibition of dextromethorphan O-demethylation using dextromethorphan as substrate preincu...

Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c01163
BindingDB Entry DOI: 10.7270/Q22R3WG0
More data for this
Ligand-Target Pair