Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7139   

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))	BDBM177755 (US9120781, 18) Show SMILES OC[C@H]1C[C@@H]2OC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCC1 |r,c:6| Show InChI InChI=1S/C11H18N2O4/c14-5-6-4-7-8(10(16)9(6)15)12-11(17-7)13-2-1-3-13/h6-10,14-16H,1-5H2/t6-,7+,8+,9-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.130	-56.4	n/a	n/a	n/a	n/a	n/a	7.0	25
Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc. US Patent					Assay Description Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acety...				US Patent US9120781 (2015) BindingDB Entry DOI: 10.7270/Q2DZ072S
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM177758 (US9120781, 26) Show SMILES CNC1=N[C@H]2[C@H](C[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:2| Show InChI InChI=1S/C9H16N2O3S/c1-10-9-11-6-5(15-9)2-4(3-12)7(13)8(6)14/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5+,6+,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.0	25
Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc. US Patent					Assay Description Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acety...				US Patent US9120781 (2015) BindingDB Entry DOI: 10.7270/Q2DZ072S
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM177756 (US9120781, 22) Show SMILES CN(C)C1=N[C@H]2[C@H](C[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C10H18N2O3S/c1-12(2)10-11-7-6(16-10)3-5(4-13)8(14)9(7)15/h5-9,13-15H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	7.0	25
Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc. US Patent					Assay Description Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acety...				US Patent US9120781 (2015) BindingDB Entry DOI: 10.7270/Q2DZ072S
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM177753 (US9120781, 9) Show SMILES CCNC1=N[C@H]2[C@H](C[C@H](CO)[C@@H](O)[C@@H]2O)O1 |r,t:3| Show InChI InChI=1S/C10H18N2O4/c1-2-11-10-12-7-6(16-10)3-5(4-13)8(14)9(7)15/h5-9,13-15H,2-4H2,1H3,(H,11,12)/t5-,6+,7+,8-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	7.0	25
Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc. US Patent					Assay Description Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acety...				US Patent US9120781 (2015) BindingDB Entry DOI: 10.7270/Q2DZ072S
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM177759 (US9120781, 32) Show SMILES OC[C@H]1C[C@@H]2OC(NCCF)=N[C@@H]2[C@@H](O)[C@@H]1O |r,c:10| Show InChI InChI=1S/C10H17FN2O4/c11-1-2-12-10-13-7-6(17-10)3-5(4-14)8(15)9(7)16/h5-9,14-16H,1-4H2,(H,12,13)/t5-,6+,7+,8-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.5	-49.1	n/a	n/a	n/a	n/a	n/a	7.0	25
Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc. US Patent					Assay Description Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acety...				US Patent US9120781 (2015) BindingDB Entry DOI: 10.7270/Q2DZ072S
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM177754 (US9120781, 13) Show SMILES CC1=N[C@H]2[C@H](C[C@H](CO)[C@@H](O)[C@@H]2O)O1 |r,t:1| Show InChI InChI=1S/C9H15NO4/c1-4-10-7-6(14-4)2-5(3-11)8(12)9(7)13/h5-9,11-13H,2-3H2,1H3/t5-,6+,7+,8-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.40	-46.4	n/a	n/a	n/a	n/a	n/a	7.0	25
Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc. US Patent					Assay Description Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acety...				US Patent US9120781 (2015) BindingDB Entry DOI: 10.7270/Q2DZ072S
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM177757 (US9120781, 23) Show SMILES CN(C)C1=N[C@@H]2[C@@H](C[C@@H](CO)[C@H](O)[C@H]2O)S1 |r,t:3| Show InChI InChI=1S/C10H18N2O3S/c1-12(2)10-11-7-6(16-10)3-5(4-13)8(14)9(7)15/h5-9,13-15H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	484	-36.0	n/a	n/a	n/a	n/a	n/a	7.0	25
Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc. US Patent					Assay Description Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acety...				US Patent US9120781 (2015) BindingDB Entry DOI: 10.7270/Q2DZ072S
					More data for this Ligand-Target Pair