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SMILES: Nc1ncnc2n(nc(SCC3CC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F

InChI Key: InChIKey=YWJANQKPRBAAER-IEQSHNCZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 476078   
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))		BDBM476078
PNG
(US10865208, Compound I-135 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(SCC3CC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C14H19FN6O5S2/c15-9-10(22)7(3-25-28(17,23)24)26-14(9)21-12-8(11(16)18-5-19-12)13(20-21)27-4-6-1-2-6/h5-7,9-10,14,22H,1-4H2,(H2,16,18,19)(H2,17,23,24)/t7-,9+,10-,14-/m1/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