Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] A' and Ligand = 'BDBM254553'   

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] A (Homo sapiens (Human))	BDBM254553 (US9469597, 12 | US9670136, 12 4-(((trans)-2-(6-(3-...) Show SMILES NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)| Show InChI InChI=1S/C22H24F3N3O/c23-22(24,25)16-3-1-2-14(10-16)19-9-6-15(12-27-19)18-11-20(18)28-17-7-4-13(5-8-17)21(26)29/h1-3,6,9-10,12-13,17-18,20,28H,4-5,7-8,11H2,(H2,26,29)/t13?,17?,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.00E+4	-27.9	n/a	n/a	n/a	n/a	n/a	7.5	37
Oryzon Genomics S.A. US Patent					Assay Description In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescence-based (inhibitor)-screening ass...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM254553 (US9469597, 12 | US9670136, 12 4-(((trans)-2-(6-(3-...) Show SMILES NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)| Show InChI InChI=1S/C22H24F3N3O/c23-22(24,25)16-3-1-2-14(10-16)19-9-6-15(12-27-19)18-11-20(18)28-17-7-4-13(5-8-17)21(26)29/h1-3,6,9-10,12-13,17-18,20,28H,4-5,7-8,11H2,(H2,26,29)/t13?,17?,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORYZON GENOMICS S.A. US Patent					Assay Description Briefly, a fixed amount of MAO (0.25 μg for MAO-A and 0.5 μg for MAO-B) was incubated on ice for 15 minutes in the reaction buffer, in the ...				US Patent US9670136 (2017) BindingDB Entry DOI: 10.7270/Q2PN93SB
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM254553 (US9469597, 12 | US9670136, 12 4-(((trans)-2-(6-(3-...) Show SMILES NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)| Show InChI InChI=1S/C22H24F3N3O/c23-22(24,25)16-3-1-2-14(10-16)19-9-6-15(12-27-19)18-11-20(18)28-17-7-4-13(5-8-17)21(26)29/h1-3,6,9-10,12-13,17-18,20,28H,4-5,7-8,11H2,(H2,26,29)/t13?,17?,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
ORYZON GENOMICS S.A. US Patent					Assay Description Briefly, a fixed amount of MAO (0.25 μg for MAO-A and 0.5 μg for MAO-B) was incubated on ice for 15 minutes in the reaction buffer, in the ...				US Patent US9670136 (2017) BindingDB Entry DOI: 10.7270/Q2PN93SB
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM254553 (US9469597, 12 | US9670136, 12 4-(((trans)-2-(6-(3-...) Show SMILES NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)| Show InChI InChI=1S/C22H24F3N3O/c23-22(24,25)16-3-1-2-14(10-16)19-9-6-15(12-27-19)18-11-20(18)28-17-7-4-13(5-8-17)21(26)29/h1-3,6,9-10,12-13,17-18,20,28H,4-5,7-8,11H2,(H2,26,29)/t13?,17?,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a	7.5	37
Oryzon Genomics S.A. US Patent					Assay Description In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescence-based (inhibitor)-screening ass...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair