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SMILES: Cc1c(ccc2n(C)nnc12)[C@@H](c1ccc2CC[C@H](N3Cc4cnccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O

InChI Key: InChIKey=HELMUQRMQBFUKI-LBNVMWSVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 381912   
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))		BDBM381912
PNG
(US10272095, Example 74 | rel-(R)-3-(1,4-Dimethyl-1...)
Show SMILES Cc1c(ccc2n(C)nnc12)[C@@H](c1ccc2CC[C@H](N3Cc4cnccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O |r|
Show InChI InChI=1S/C32H37N5O3/c1-19-23(10-12-26-29(19)34-35-36(26)6)28(32(4,5)30(38)39)21-8-7-20-9-11-25(24(20)15-21)37-17-22-16-33-14-13-27(22)40-31(2,3)18-37/h7-8,10,12-16,25,28H,9,11,17-18H2,1-6H3,(H,38,39)/t25-,28+/m0/s1
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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