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SMILES: COc1cc(C(CC(O)=O)c2ccc3CCC(N4Cc5cccnc5OC(C)(C)C4)c3c2)c(C)c2nnn(C)c12

InChI Key: InChIKey=VTEBYSQHJVBWMW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 381877   
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))		BDBM381877
PNG
(3-(3-(2,2-Dimethyl-2,3-dihydropyrido[3,2-f][1,4]ox...)
Show SMILES COc1cc(C(CC(O)=O)c2ccc3CCC(N4Cc5cccnc5OC(C)(C)C4)c3c2)c(C)c2nnn(C)c12
Show InChI InChI=1S/C31H35N5O4/c1-18-22(14-26(39-5)29-28(18)33-34-35(29)4)23(15-27(37)38)20-9-8-19-10-11-25(24(19)13-20)36-16-21-7-6-12-32-30(21)40-31(2,3)17-36/h6-9,12-14,23,25H,10-11,15-17H2,1-5H3,(H,37,38)
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n/an/an/an/a 5.5n/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