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

InChI Key: InChIKey=KNRHCLVQDNBXGN-JTFADIMSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 475988   
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))
BDBM475988
PNG
(US10865208, Compound I-46 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Nc1ncnc2n(nc(SCCO)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H18N6O7S2/c13-9-6-10(16-4-15-9)18(17-11(6)26-2-1-19)12-8(21)7(20)5(25-12)3-24-27(14,22)23/h4-5,7-8,12,19-21H,1-3H2,(H2,13,15,16)(H2,14,22,23)/t5-,7-,8-,12-/m1/s1
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PC cid
PC sid
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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