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Compile Data Set for Download or QSAR

Found 1 hit of Enz. Inhib. data with enzyme = 'Cytochrome P450 2B6' and Substrate = 'US9333197, Bupropion'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM224811
PNG
(US9333197, Hydroxybupropion)
Show SMILES CC(NC(C)(C)CO)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO2/c1-9(15-13(2,3)8-16)12(17)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.92E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.3%) are incubated with human liver microsomes...


US Patent US9333197 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JW7
More data for this
Ligand-Target Pair