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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD(P)H dehydrogenase [quinone] 1' and Ligand = 'BDBM381897'   
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
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381897
PNG
(3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-2,...)
Show SMILES C[C@H]1CN(Cc2cccnc2O1)C1CCc2ccc(cc12)C(c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r|
Show InChI InChI=1S/C31H35N5O3/c1-18-16-36(17-22-7-6-14-32-29(22)39-18)25-12-10-20-8-9-21(15-24(20)25)27(31(3,4)30(37)38)23-11-13-26-28(19(23)2)33-34-35(26)5/h6-9,11,13-15,18,25,27H,10,12,16-17H2,1-5H3,(H,37,38)/t18-,25?,27?/m0/s1
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/an/an/a 55n/an/an/an/a



TargeGen Inc.



Assay Description
NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...


J Med Chem 50: 4279-94 (2007)


BindingDB Entry DOI: 10.7270/Q2SN0C8F
More data for this
Ligand-Target Pair