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SMILES: Nc1ncnc2n(nc(Sc3ccc4OCCOc4c3)c12)[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1

InChI Key: InChIKey=DKOFOAFZZREFSH-ZLKJLUDKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 476146   
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
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))		BDBM476146
PNG
(US10865208, Compound I-201 | {(2R,3S,5R)-5-[4-amin...)
Show SMILES Nc1ncnc2n(nc(Sc3ccc4OCCOc4c3)c12)[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 |r|
Show InChI InChI=1S/C18H20N6O7S2/c19-16-15-17(22-8-21-16)24(14-6-10(25)13(31-14)7-30-33(20,26)27)23-18(15)32-9-1-2-11-12(5-9)29-4-3-28-11/h1-2,5,8,10,13-14,25H,3-4,6-7H2,(H2,19,21,22)(H2,20,26,27)/t10-,13+,14+/m0/s1
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US Patent
n/an/a 35n/an/an/an/an/an/a



MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...

US Patent US10865208 (2020)

More data for this
Ligand-Target Pair