Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM11018'   

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))	BDBM11018 (2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...) Show SMILES CC1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2C(=O)N(C)C1=O Show InChI InChI=1S/C17H16ClN3O2/c1-10-14-15(17(23)21(3)16(10)22)20(2)13(19-14)8-7-11-5-4-6-12(18)9-11/h4-10H,1-3H3/b8-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	-40.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...				J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Mus musculus)	BDBM11018 (2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...) Show SMILES CC1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2C(=O)N(C)C1=O Show InChI InChI=1S/C17H16ClN3O2/c1-10-14-15(17(23)21(3)16(10)22)20(2)13(19-14)8-7-11-5-4-6-12(18)9-11/h4-10H,1-3H3/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	-38.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...				J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM11018 (2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...) Show SMILES CC1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2C(=O)N(C)C1=O Show InChI InChI=1S/C17H16ClN3O2/c1-10-14-15(17(23)21(3)16(10)22)20(2)13(19-14)8-7-11-5-4-6-12(18)9-11/h4-10H,1-3H3/b8-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	-38.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...				J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM11018 (2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...) Show SMILES CC1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2C(=O)N(C)C1=O Show InChI InChI=1S/C17H16ClN3O2/c1-10-14-15(17(23)21(3)16(10)22)20(2)13(19-14)8-7-11-5-4-6-12(18)9-11/h4-10H,1-3H3/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	-34.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...				J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM11018 (2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...) Show SMILES CC1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2C(=O)N(C)C1=O Show InChI InChI=1S/C17H16ClN3O2/c1-10-14-15(17(23)21(3)16(10)22)20(2)13(19-14)8-7-11-5-4-6-12(18)9-11/h4-10H,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+6	>-17.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...				J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5
					More data for this Ligand-Target Pair