Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50002303   

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))	BDBM50456904 (CHEMBL4218693) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](NC(=O)\C=C\C=C)c2nc(CCc3ccccc3)cn12 |r| Show InChI InChI=1S/C21H25N3O4/c1-2-3-9-17(26)23-18-20(28)19(27)16(13-25)24-12-15(22-21(18)24)11-10-14-7-5-4-6-8-14/h2-9,12,16,18-20,25,27-28H,1,10-11,13H2,(H,23,26)/b9-3+/t16-,18-,19-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Caen Normandie Curated by ChEMBL					Assay Description Competitive inhibition of human O-GlcNAcase by Lineweaver-Burk analysis				Eur J Med Chem 139: 153-167 (2017) Article DOI: 10.1016/j.ejmech.2017.07.070 BindingDB Entry DOI: 10.7270/Q2ZP48QF
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50323697 ((3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL...) Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Caen Normandie Curated by ChEMBL					Assay Description Competitive inhibition of human O-GlcNAcase using 4-Np-GlcNAc as substrate after 5 mins by Dixon plot analysis				Eur J Med Chem 139: 153-167 (2017) Article DOI: 10.1016/j.ejmech.2017.07.070 BindingDB Entry DOI: 10.7270/Q2ZP48QF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50394493 (CHEMBL2160124) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=NOC(=O)Nc1ccccc1 |r,w:14.15| Show InChI InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/t10-,11-,12-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Caen Normandie Curated by ChEMBL					Assay Description Competitive inhibition of human O-GlcNAcase using 4-Np-GlcNAc as substrate after 30 mins				Eur J Med Chem 139: 153-167 (2017) Article DOI: 10.1016/j.ejmech.2017.07.070 BindingDB Entry DOI: 10.7270/Q2ZP48QF
					More data for this Ligand-Target Pair