Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin-like modifier-activating enzyme ATG7' and Ligand = 'BDBM476126'   

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))	BDBM476126 (US10865208, Compound I-181 | {(2R,3S,5R)-5-[4-amin...) Show SMILES CC(C)Sc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12 |r| Show InChI InChI=1S/C13H20N6O5S2/c1-6(2)25-13-10-11(14)16-5-17-12(10)19(18-13)9-3-7(20)8(24-9)4-23-26(15,21)22/h5-9,20H,3-4H2,1-2H3,(H2,14,16,17)(H2,15,21,22)/t7-,8+,9+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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))	BDBM476126 (US10865208, Compound I-181 | {(2R,3S,5R)-5-[4-amin...) Show SMILES CC(C)Sc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12 |r| Show InChI InChI=1S/C13H20N6O5S2/c1-6(2)25-13-10-11(14)16-5-17-12(10)19(18-13)9-3-7(20)8(24-9)4-23-26(15,21)22/h5-9,20H,3-4H2,1-2H3,(H2,14,16,17)(H2,15,21,22)/t7-,8+,9+/m0/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))	BDBM476126 (US10865208, Compound I-181 | {(2R,3S,5R)-5-[4-amin...) Show SMILES CC(C)Sc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12 |r| Show InChI InChI=1S/C13H20N6O5S2/c1-6(2)25-13-10-11(14)16-5-17-12(10)19(18-13)9-3-7(20)8(24-9)4-23-26(15,21)22/h5-9,20H,3-4H2,1-2H3,(H2,14,16,17)(H2,15,21,22)/t7-,8+,9+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	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))	BDBM476126 (US10865208, Compound I-181 | {(2R,3S,5R)-5-[4-amin...) Show SMILES CC(C)Sc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12 |r| Show InChI InChI=1S/C13H20N6O5S2/c1-6(2)25-13-10-11(14)16-5-17-12(10)19(18-13)9-3-7(20)8(24-9)4-23-26(15,21)22/h5-9,20H,3-4H2,1-2H3,(H2,14,16,17)(H2,15,21,22)/t7-,8+,9+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	438	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