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SMILES: Nc1ncnc2n(nc(Sc3cc(ccn3)C#N)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F

InChI Key: InChIKey=OWGKKVLZIBVLKH-DGHXPGOUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 476073   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Ubiquitin-like modifier-activating enzyme ATG7 (Homo sapiens (Human))	BDBM476073 (US10865208, Compound I-130 | [(2R,3R,4S,5R)-5-{4-a...) Show SMILES Nc1ncnc2n(nc(Sc3cc(ccn3)C#N)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r| Show InChI InChI=1S/C16H15FN8O5S2/c17-11-12(26)8(5-29-32(20,27)28)30-16(11)25-14-10(13(19)22-6-23-14)15(24-25)31-9-3-7(4-18)1-2-21-9/h1-3,6,8,11-12,16,26H,5H2,(H2,19,22,23)(H2,20,27,28)/t8-,11+,12-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/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