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SMILES: Nc1ncnc2n(nc(SC3CCCC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=QUFLBZCYGVEMNU-ORXWAGORSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 476005   
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))		BDBM476005
PNG
(US10865208, Compound I-62 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES Nc1ncnc2n(nc(SC3CCCC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H22N6O6S2/c16-12-9-13(19-6-18-12)21(20-14(9)28-7-3-1-2-4-7)15-11(23)10(22)8(27-15)5-26-29(17,24)25/h6-8,10-11,15,22-23H,1-5H2,(H2,16,18,19)(H2,17,24,25)/t8-,10-,11-,15-/m1/s1
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US Patent
n/an/a<20n/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