Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] A' and Ligand = 'BDBM254552'   

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))	BDBM254552 (US9469597, 11 | US9670136, 11 4-(((trans)-2-(6-(3-...) Show SMILES OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)| Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-25-19)18-11-20(18)26-16-5-7-17(27)8-6-16/h1-4,9-10,12,16-18,20,26-27H,5-8,11H2/t16?,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))	BDBM254552 (US9469597, 11 | US9670136, 11 4-(((trans)-2-(6-(3-...) Show SMILES OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)| Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-25-19)18-11-20(18)26-16-5-7-17(27)8-6-16/h1-4,9-10,12,16-18,20,26-27H,5-8,11H2/t16?,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))	BDBM254552 (US9469597, 11 | US9670136, 11 4-(((trans)-2-(6-(3-...) Show SMILES OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)| Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-25-19)18-11-20(18)26-16-5-7-17(27)8-6-16/h1-4,9-10,12,16-18,20,26-27H,5-8,11H2/t16?,17?,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20E+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))	BDBM254552 (US9469597, 11 | US9670136, 11 4-(((trans)-2-(6-(3-...) Show SMILES OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)| Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-25-19)18-11-20(18)26-16-5-7-17(27)8-6-16/h1-4,9-10,12,16-18,20,26-27H,5-8,11H2/t16?,17?,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20E+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