Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM243415'   

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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM243415 (N-(5-methyl-1,3,4- thiadiazol-2-yl)-5- ((1R,2R)-2-...) Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r| Show InChI InChI=1S/C16H20N4O2S2/c1-9-19-20-16(24-9)18-15(21)10-6-14(23-8-10)12-7-13(12)17-11-2-4-22-5-3-11/h6,8,11-13,17H,2-5,7H2,1H3,(H,18,20,21)/t12-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldr...				US Patent US9718814 (2017) BindingDB Entry DOI: 10.7270/Q21838J9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM243415 (N-(5-methyl-1,3,4- thiadiazol-2-yl)-5- ((1R,2R)-2-...) Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r| Show InChI InChI=1S/C16H20N4O2S2/c1-9-19-20-16(24-9)18-15(21)10-6-14(23-8-10)12-7-13(12)17-11-2-4-22-5-3-11/h6,8,11-13,17H,2-5,7H2,1H3,(H,18,20,21)/t12-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...				US Patent US9714241 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2CZN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM243415 (N-(5-methyl-1,3,4- thiadiazol-2-yl)-5- ((1R,2R)-2-...) Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r| Show InChI InChI=1S/C16H20N4O2S2/c1-9-19-20-16(24-9)18-15(21)10-6-14(23-8-10)12-7-13(12)17-11-2-4-22-5-3-11/h6,8,11-13,17H,2-5,7H2,1H3,(H,18,20,21)/t12-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...				US Patent US10053456 (2018) BindingDB Entry DOI: 10.7270/Q23J3FZ4
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM243415 (N-(5-methyl-1,3,4- thiadiazol-2-yl)-5- ((1R,2R)-2-...) Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r| Show InChI InChI=1S/C16H20N4O2S2/c1-9-19-20-16(24-9)18-15(21)10-6-14(23-8-10)12-7-13(12)17-11-2-4-22-5-3-11/h6,8,11-13,17H,2-5,7H2,1H3,(H,18,20,21)/t12-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM243415 (N-(5-methyl-1,3,4- thiadiazol-2-yl)-5- ((1R,2R)-2-...) Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r| Show InChI InChI=1S/C16H20N4O2S2/c1-9-19-20-16(24-9)18-15(21)10-6-14(23-8-10)12-7-13(12)17-11-2-4-22-5-3-11/h6,8,11-13,17H,2-5,7H2,1H3,(H,18,20,21)/t12-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description MAO-B: The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test co...				US Patent US10414761 (2019) BindingDB Entry DOI: 10.7270/Q2V98BFG
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM243415 (N-(5-methyl-1,3,4- thiadiazol-2-yl)-5- ((1R,2R)-2-...) Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r| Show InChI InChI=1S/C16H20N4O2S2/c1-9-19-20-16(24-9)18-15(21)10-6-14(23-8-10)12-7-13(12)17-11-2-4-22-5-3-11/h6,8,11-13,17H,2-5,7H2,1H3,(H,18,20,21)/t12-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM243415 (N-(5-methyl-1,3,4- thiadiazol-2-yl)-5- ((1R,2R)-2-...) Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r| Show InChI InChI=1S/C16H20N4O2S2/c1-9-19-20-16(24-9)18-15(21)10-6-14(23-8-10)12-7-13(12)17-11-2-4-22-5-3-11/h6,8,11-13,17H,2-5,7H2,1H3,(H,18,20,21)/t12-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldr...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2R213PQ
					More data for this Ligand-Target Pair