Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 7411   

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))	BDBM193649 (US9199949, 6) Show SMILES O[C@@H]1[C@H]2N=C(O[C@H]2C[C@H](C(F)F)[C@H]1O)N1CCC1 |r,c:3| Show InChI InChI=1S/C11H16F2N2O3/c12-10(13)5-4-6-7(9(17)8(5)16)14-11(18-6)15-2-1-3-15/h5-10,16-17H,1-4H2/t5-,6-,7-,8+,9+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-52.3	n/a	n/a	n/a	n/a	n/a	7.0	25
Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp. US Patent					Assay Description Enzymatic reactions were 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-acet...				US Patent US9199949 (2015) BindingDB Entry DOI: 10.7270/Q28S4NR8
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM193648 (US9199949, 4) Show SMILES O[C@@H]1[C@H]2N=C(O[C@H]2C[C@H](CF)[C@H]1O)N1CCC1 |r,c:3| Show InChI InChI=1S/C11H17FN2O3/c12-5-6-4-7-8(10(16)9(6)15)13-11(17-7)14-2-1-3-14/h6-10,15-16H,1-5H2/t6-,7+,8+,9-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-51.1	n/a	n/a	n/a	n/a	n/a	7.0	25
Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp. US Patent					Assay Description Enzymatic reactions were 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-acet...				US Patent US9199949 (2015) BindingDB Entry DOI: 10.7270/Q28S4NR8
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM193650 (US9199949, 8) Show SMILES CNC1=N[C@H]2[C@H](C[C@H](C(F)F)[C@@H](O)[C@@H]2O)O1 |r,t:2| Show InChI InChI=1S/C9H14F2N2O3/c1-12-9-13-5-4(16-9)2-3(8(10)11)6(14)7(5)15/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5-,6+,7+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	-50.5	n/a	n/a	n/a	n/a	n/a	7.0	25
Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp. US Patent					Assay Description Enzymatic reactions were 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-acet...				US Patent US9199949 (2015) BindingDB Entry DOI: 10.7270/Q28S4NR8
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM193647 (US9199949, 2) Show SMILES CNC1=N[C@H]2[C@H](C[C@H](CF)[C@@H](O)[C@@H]2O)O1 |r,t:2| Show InChI InChI=1S/C9H15FN2O3/c1-11-9-12-6-5(15-9)2-4(3-10)7(13)8(6)14/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5+,6+,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.0	25
Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp. US Patent					Assay Description Enzymatic reactions were 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-acet...				US Patent US9199949 (2015) BindingDB Entry DOI: 10.7270/Q28S4NR8
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM193651 (US9199949, 10) Show SMILES OC[C@H]1C[C@@H]2OC(=N[C@@H]2[C@H](F)[C@@H]1O)N1CCC1 |r,c:6| Show InChI InChI=1S/C11H17FN2O3/c12-8-9-7(4-6(5-15)10(8)16)17-11(13-9)14-2-1-3-14/h6-10,15-16H,1-5H2/t6-,7+,8+,9+,10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7	-46.5	n/a	n/a	n/a	n/a	n/a	7.0	25
Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp. US Patent					Assay Description Enzymatic reactions were 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-acet...				US Patent US9199949 (2015) BindingDB Entry DOI: 10.7270/Q28S4NR8
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM193652 (US9199949, 12) Show SMILES CNC1=N[C@H]2[C@H](C[C@H](CO)[C@@H](O)[C@H]2F)O1 |r,t:2| Show InChI InChI=1S/C9H15FN2O3/c1-11-9-12-7-5(15-9)2-4(3-13)8(14)6(7)10/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5+,6+,7+,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.60	-46.0	n/a	n/a	n/a	n/a	n/a	7.0	25
Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp. US Patent					Assay Description Enzymatic reactions were 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-acet...				US Patent US9199949 (2015) BindingDB Entry DOI: 10.7270/Q28S4NR8
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM193653 (US9199949, 15) Show SMILES O[C@H]1[C@@H](F)[C@H]2N=C(O[C@H]2C[C@@H]1C(F)F)N1CCC1 |r,c:5| Show InChI InChI=1S/C11H15F3N2O2/c12-7-8-6(4-5(9(7)17)10(13)14)18-11(15-8)16-2-1-3-16/h5-10,17H,1-4H2/t5-,6-,7-,8-,9+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20.5	-43.9	n/a	n/a	n/a	n/a	n/a	7.0	25
Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp. US Patent					Assay Description Enzymatic reactions were 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-acet...				US Patent US9199949 (2015) BindingDB Entry DOI: 10.7270/Q28S4NR8
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM193648 (US9199949, 4) Show SMILES O[C@@H]1[C@H]2N=C(O[C@H]2C[C@H](CF)[C@H]1O)N1CCC1 |r,c:3| Show InChI InChI=1S/C11H17FN2O3/c12-5-6-4-7-8(10(16)9(6)15)13-11(17-7)14-2-1-3-14/h6-10,15-16H,1-5H2/t6-,7+,8+,9-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	5.20	n/a	n/a	n/a	4
Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp. US Patent					Assay Description The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 μL/well of the cell l...				US Patent US9199949 (2015) BindingDB Entry DOI: 10.7270/Q28S4NR8
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM193650 (US9199949, 8) Show SMILES CNC1=N[C@H]2[C@H](C[C@H](C(F)F)[C@@H](O)[C@@H]2O)O1 |r,t:2| Show InChI InChI=1S/C9H14F2N2O3/c1-12-9-13-5-4(16-9)2-3(8(10)11)6(14)7(5)15/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5-,6+,7+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	4
Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp. US Patent					Assay Description The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 μL/well of the cell l...				US Patent US9199949 (2015) BindingDB Entry DOI: 10.7270/Q28S4NR8
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM193649 (US9199949, 6) Show SMILES O[C@@H]1[C@H]2N=C(O[C@H]2C[C@H](C(F)F)[C@H]1O)N1CCC1 |r,c:3| Show InChI InChI=1S/C11H16F2N2O3/c12-10(13)5-4-6-7(9(17)8(5)16)14-11(18-6)15-2-1-3-15/h5-10,16-17H,1-4H2/t5-,6-,7-,8+,9+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	5.10	n/a	n/a	n/a	4
Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp. US Patent					Assay Description The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 μL/well of the cell l...				US Patent US9199949 (2015) BindingDB Entry DOI: 10.7270/Q28S4NR8
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM193647 (US9199949, 2) Show SMILES CNC1=N[C@H]2[C@H](C[C@H](CF)[C@@H](O)[C@@H]2O)O1 |r,t:2| Show InChI InChI=1S/C9H15FN2O3/c1-11-9-12-6-5(15-9)2-4(3-10)7(13)8(6)14/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5+,6+,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	8.80	n/a	n/a	n/a	4
Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp. US Patent					Assay Description The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 μL/well of the cell l...				US Patent US9199949 (2015) BindingDB Entry DOI: 10.7270/Q28S4NR8
					More data for this Ligand-Target Pair