Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] A' and Ligand = 'BDBM254554'   

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))	BDBM254554 (US10214477, Example 13 | US9469597, 13 | US9670136...) Show SMILES CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)| Show InChI InChI=1S/C23H26F3N3O/c1-14(30)28-18-6-8-19(9-7-18)29-22-12-20(22)16-5-10-21(27-13-16)15-3-2-4-17(11-15)23(24,25)26/h2-5,10-11,13,18-20,22,29H,6-9,12H2,1H3,(H,28,30)/t18?,19?,20-,22+/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))	BDBM254554 (US10214477, Example 13 | US9469597, 13 | US9670136...) Show SMILES CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)| Show InChI InChI=1S/C23H26F3N3O/c1-14(30)28-18-6-8-19(9-7-18)29-22-12-20(22)16-5-10-21(27-13-16)15-3-2-4-17(11-15)23(24,25)26/h2-5,10-11,13,18-20,22,29H,6-9,12H2,1H3,(H,28,30)/t18?,19?,20-,22+/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))	BDBM254554 (US10214477, Example 13 | US9469597, 13 | US9670136...) Show SMILES CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)| Show InChI InChI=1S/C23H26F3N3O/c1-14(30)28-18-6-8-19(9-7-18)29-22-12-20(22)16-5-10-21(27-13-16)15-3-2-4-17(11-15)23(24,25)26/h2-5,10-11,13,18-20,22,29H,6-9,12H2,1H3,(H,28,30)/t18?,19?,20-,22+/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 LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...				US Patent US10214477 (2019) BindingDB Entry DOI: 10.7270/Q2ZS2ZTB
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM254554 (US10214477, Example 13 | US9469597, 13 | US9670136...) Show SMILES CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)| Show InChI InChI=1S/C23H26F3N3O/c1-14(30)28-18-6-8-19(9-7-18)29-22-12-20(22)16-5-10-21(27-13-16)15-3-2-4-17(11-15)23(24,25)26/h2-5,10-11,13,18-20,22,29H,6-9,12H2,1H3,(H,28,30)/t18?,19?,20-,22+/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
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))	BDBM254554 (US10214477, Example 13 | US9469597, 13 | US9670136...) Show SMILES CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)| Show InChI InChI=1S/C23H26F3N3O/c1-14(30)28-18-6-8-19(9-7-18)29-22-12-20(22)16-5-10-21(27-13-16)15-3-2-4-17(11-15)23(24,25)26/h2-5,10-11,13,18-20,22,29H,6-9,12H2,1H3,(H,28,30)/t18?,19?,20-,22+/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	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))	BDBM254554 (US10214477, Example 13 | US9469597, 13 | US9670136...) Show SMILES CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)| Show InChI InChI=1S/C23H26F3N3O/c1-14(30)28-18-6-8-19(9-7-18)29-22-12-20(22)16-5-10-21(27-13-16)15-3-2-4-17(11-15)23(24,25)26/h2-5,10-11,13,18-20,22,29H,6-9,12H2,1H3,(H,28,30)/t18?,19?,20-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.78E+6	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 LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...				US Patent US10214477 (2019) BindingDB Entry DOI: 10.7270/Q2ZS2ZTB
					More data for this Ligand-Target Pair