Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Protein O-GlcNAcase' and Ligand = 'BDBM458386'   

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
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM458386 (1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-ben...) Show SMILES C[C@H](N1C[C@@H](C[C@@H]1C)Oc1ncc2CN(Cc2n1)C(C)=O)c1cc2nc(C)sc2cc1F |r| Show InChI InChI=1S/C23H26FN5O2S/c1-12-5-17(31-23-25-8-16-9-28(15(4)30)11-21(16)27-23)10-29(12)13(2)18-6-20-22(7-19(18)24)32-14(3)26-20/h6-8,12-13,17H,5,9-11H2,1-4H3/t12-,13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.495	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...				US Patent US10752632 (2020) BindingDB Entry DOI: 10.7270/Q2T72MHD
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM458386 (1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-ben...) Show SMILES C[C@H](N1C[C@@H](C[C@@H]1C)Oc1ncc2CN(Cc2n1)C(C)=O)c1cc2nc(C)sc2cc1F |r| Show InChI InChI=1S/C23H26FN5O2S/c1-12-5-17(31-23-25-8-16-9-28(15(4)30)11-21(16)27-23)10-29(12)13(2)18-6-20-22(7-19(18)24)32-14(3)26-20/h6-8,12-13,17H,5,9-11H2,1-4H3/t12-,13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.495	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full-length human N-terminal poly-His tagged OGA expressed in baculovirus infected Sf9 cells using FD-GlcNAc as substrate preincubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00259 BindingDB Entry DOI: 10.7270/Q2NG4VBP
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM458386 (1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-ben...) Show SMILES C[C@H](N1C[C@@H](C[C@@H]1C)Oc1ncc2CN(Cc2n1)C(C)=O)c1cc2nc(C)sc2cc1F |r| Show InChI InChI=1S/C23H26FN5O2S/c1-12-5-17(31-23-25-8-16-9-28(15(4)30)11-21(16)27-23)10-29(12)13(2)18-6-20-22(7-19(18)24)32-14(3)26-20/h6-8,12-13,17H,5,9-11H2,1-4H3/t12-,13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.495	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...				US Patent US10836773 (2020) BindingDB Entry DOI: 10.7270/Q2PG1VVK
					More data for this Ligand-Target Pair