Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin-like modifier-activating enzyme ATG7' and Ligand = 'BDBM476025'   

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))	BDBM476025 (US10865208, Compound I-82 | {(2R,3S,4R,5R)-5-[4-am...) Show SMILES Nc1ncnc2n(nc(Sc3ccccc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H18N6O6S2/c17-13-10-14(20-7-19-13)22(21-15(10)29-8-4-2-1-3-5-8)16-12(24)11(23)9(28-16)6-27-30(18,25)26/h1-5,7,9,11-12,16,23-24H,6H2,(H2,17,19,20)(H2,18,25,26)/t9-,11-,12-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	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))	BDBM476025 (US10865208, Compound I-82 | {(2R,3S,4R,5R)-5-[4-am...) Show SMILES Nc1ncnc2n(nc(Sc3ccccc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H18N6O6S2/c17-13-10-14(20-7-19-13)22(21-15(10)29-8-4-2-1-3-5-8)16-12(24)11(23)9(28-16)6-27-30(18,25)26/h1-5,7,9,11-12,16,23-24H,6H2,(H2,17,19,20)(H2,18,25,26)/t9-,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) BindingDB Entry DOI: 10.7270/Q23B6366
					More data for this Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7 (Homo sapiens (Human))	BDBM476025 (US10865208, Compound I-82 | {(2R,3S,4R,5R)-5-[4-am...) Show SMILES Nc1ncnc2n(nc(Sc3ccccc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H18N6O6S2/c17-13-10-14(20-7-19-13)22(21-15(10)29-8-4-2-1-3-5-8)16-12(24)11(23)9(28-16)6-27-30(18,25)26/h1-5,7,9,11-12,16,23-24H,6H2,(H2,17,19,20)(H2,18,25,26)/t9-,11-,12-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	201	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