Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM243427'   

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))	BDBM243427 (4-(trans-2- (cyclobutylamino)- cyclopropyl)-N-(1- ...) Show SMILES Cn1cc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)cn1 Show InChI InChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)15-5-10(9-22-15)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)	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))	BDBM243427 (4-(trans-2- (cyclobutylamino)- cyclopropyl)-N-(1- ...) Show SMILES Cn1cc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)cn1 Show InChI InChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)15-5-10(9-22-15)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)	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))	BDBM243427 (4-(trans-2- (cyclobutylamino)- cyclopropyl)-N-(1- ...) Show SMILES Cn1cc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)cn1 Show InChI InChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)15-5-10(9-22-15)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)	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))	BDBM243427 (4-(trans-2- (cyclobutylamino)- cyclopropyl)-N-(1- ...) Show SMILES Cn1cc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)cn1 Show InChI InChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)15-5-10(9-22-15)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)	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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM243427 (4-(trans-2- (cyclobutylamino)- cyclopropyl)-N-(1- ...) Show SMILES Cn1cc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)cn1 Show InChI InChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)15-5-10(9-22-15)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)	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))	BDBM243427 (4-(trans-2- (cyclobutylamino)- cyclopropyl)-N-(1- ...) Show SMILES Cn1cc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)cn1 Show InChI InChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)15-5-10(9-22-15)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)	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