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SMILES: Nc1ncnc2n(nc(Sc3ccccn3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F

InChI Key: InChIKey=DSSBREMBRBSNND-YRWRXJCHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 476056   
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))		BDBM476056
PNG
(US10865208, Compound I-113 | {(2R,3R,4S,5R)-5-[4-a...)
Show SMILES Nc1ncnc2n(nc(Sc3ccccn3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C15H16FN7O5S2/c16-10-11(24)7(5-27-30(18,25)26)28-15(10)23-13-9(12(17)20-6-21-13)14(22-23)29-8-3-1-2-4-19-8/h1-4,6-7,10-11,15,24H,5H2,(H2,17,20,21)(H2,18,25,26)/t7-,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)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair