Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin-like modifier-activating enzyme ATG7' and Ligand = 'BDBM476086'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM476086 (US10865208, Compound I-141 | [(2R,3R,4S,5R)-5-{4-a...) Show SMILES Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1 |r| Show InChI InChI=1S/C17H19FN6O5S2/c1-8-3-2-4-9(5-8)30-16-11-14(19)21-7-22-15(11)24(23-16)17-12(18)13(25)10(29-17)6-28-31(20,26)27/h2-5,7,10,12-13,17,25H,6H2,1H3,(H2,19,21,22)(H2,20,26,27)/t10-,12+,13-,17-/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) BindingDB Entry DOI: 10.7270/Q23B6366
					More data for this Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7 (Homo sapiens (Human))	BDBM476086 (US10865208, Compound I-141 | [(2R,3R,4S,5R)-5-{4-a...) Show SMILES Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1 |r| Show InChI InChI=1S/C17H19FN6O5S2/c1-8-3-2-4-9(5-8)30-16-11-14(19)21-7-22-15(11)24(23-16)17-12(18)13(25)10(29-17)6-28-31(20,26)27/h2-5,7,10,12-13,17,25H,6H2,1H3,(H2,19,21,22)(H2,20,26,27)/t10-,12+,13-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115681 BindingDB Entry DOI: 10.7270/Q2M90DBR
					More data for this Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7 (Homo sapiens (Human))	BDBM476086 (US10865208, Compound I-141 | [(2R,3R,4S,5R)-5-{4-a...) Show SMILES Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1 |r| Show InChI InChI=1S/C17H19FN6O5S2/c1-8-3-2-4-9(5-8)30-16-11-14(19)21-7-22-15(11)24(23-16)17-12(18)13(25)10(29-17)6-28-31(20,26)27/h2-5,7,10,12-13,17,25H,6H2,1H3,(H2,19,21,22)(H2,20,26,27)/t10-,12+,13-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ATG7 in human 293HEK cells assessed as inhibition of ATG7:ATG8 thioester formation after 8 hrs by Western blot analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115681 BindingDB Entry DOI: 10.7270/Q2M90DBR
					More data for this Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7 (Homo sapiens (Human))	BDBM476086 (US10865208, Compound I-141 | [(2R,3R,4S,5R)-5-{4-a...) Show SMILES Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1 |r| Show InChI InChI=1S/C17H19FN6O5S2/c1-8-3-2-4-9(5-8)30-16-11-14(19)21-7-22-15(11)24(23-16)17-12(18)13(25)10(29-17)6-28-31(20,26)27/h2-5,7,10,12-13,17,25H,6H2,1H3,(H2,19,21,22)(H2,20,26,27)/t10-,12+,13-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ATG7 in human 293HEK cells assessed as inhibition of ATG7:ATG8 thioester formation after 4 hrs by Western blot analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115681 BindingDB Entry DOI: 10.7270/Q2M90DBR
					More data for this Ligand-Target Pair