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SMILES: Cc1c(ccc2n(C)nnc12)[C@H](c1ccc2CC[C@H](N3Cc4ccccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O

InChI Key: InChIKey=WTUWJHPLITTXLD-WNJJXGMVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 381916   
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))		BDBM381916
PNG
(US10272095, Example 78 | rel-(S)-3-(1,4-Dimethyl- ...)
Show SMILES Cc1c(ccc2n(C)nnc12)[C@H](c1ccc2CC[C@H](N3Cc4ccccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O |r|
Show InChI InChI=1S/C33H38N4O3/c1-20-24(14-16-27-30(20)34-35-36(27)6)29(33(4,5)31(38)39)22-12-11-21-13-15-26(25(21)17-22)37-18-23-9-7-8-10-28(23)40-32(2,3)19-37/h7-12,14,16-17,26,29H,13,15,18-19H2,1-6H3,(H,38,39)/t26-,29-/m0/s1
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PC cid
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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