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Compile Data Set for Download or QSAR

Found 1 hit of ki for UniProtKB: P15559   
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
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50316155
PNG
(CHEMBL357217 | ES-936)
Show SMILES COC1=CC(=O)c2c(c(COc3ccc(cc3)[N+]([O-])=O)c(C)n2C)C1=O |t:2|
Show InChI InChI=1S/C18H16N2O6/c1-10-13(9-26-12-6-4-11(5-7-12)20(23)24)16-17(19(10)2)14(21)8-15(25-3)18(16)22/h4-8H,9H2,1-3H3
PDB
MMDB

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Article
PubMed
450n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NQO1 expressed in Escherichia coli using DCPIP as substrate assessed as rate of reduction of DCPIP in presence of NAD...


J Med Chem 61: 6983-7003 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00124
BindingDB Entry DOI: 10.7270/Q2N0192H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)