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SMILES: Nc1ncnc2n(nc(Sc3ccc(Cl)cc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=MZMZXMMQQNHJOV-UBEDBUPSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 476007   
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))		BDBM476007
PNG
(US10865208, Compound I-64 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Nc1ncnc2n(nc(Sc3ccc(Cl)cc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H17ClN6O6S2/c17-7-1-3-8(4-2-7)30-15-10-13(18)20-6-21-14(10)23(22-15)16-12(25)11(24)9(29-16)5-28-31(19,26)27/h1-4,6,9,11-12,16,24-25H,5H2,(H2,18,20,21)(H2,19,26,27)/t9-,11-,12-,16-/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)


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