Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 16 entry = 50046936   

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))	BDBM50142187 (CHEMBL3758634) Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)33-21-7-5-20(6-8-21)24-23(19-3-1-17(14-29)2-4-19)13-22(15-31-24)32-16-18-9-11-30-12-10-18/h1-8,13,15,18,30H,9-12,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A after 60 mins MAO-glo assay				J Med Chem 59: 253-63 (2016) Article DOI: 10.1021/acs.jmedchem.5b01361 BindingDB Entry DOI: 10.7270/Q23J3FSW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50142080 (CHEMBL3758211) Show SMILES N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccccc1 Show InChI InChI=1S/C24H23N3O/c25-15-18-6-8-20(9-7-18)23-14-22(28-17-19-10-12-26-13-11-19)16-27-24(23)21-4-2-1-3-5-21/h1-9,14,16,19,26H,10-13,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A after 60 mins MAO-glo assay				J Med Chem 59: 253-63 (2016) Article DOI: 10.1021/acs.jmedchem.5b01361 BindingDB Entry DOI: 10.7270/Q23J3FSW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50142237 (CHEMBL3759797) Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N Show InChI InChI=1S/C25H22F3N3O/c26-25(27,28)21-7-5-20(6-8-21)24-23(19-3-1-17(14-29)2-4-19)13-22(15-31-24)32-16-18-9-11-30-12-10-18/h1-8,13,15,18,30H,9-12,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A after 60 mins MAO-glo assay				J Med Chem 59: 253-63 (2016) Article DOI: 10.1021/acs.jmedchem.5b01361 BindingDB Entry DOI: 10.7270/Q23J3FSW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50142238 (CHEMBL3759201) Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N Show InChI InChI=1S/C25H25N3O/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(15-26)5-9-21)14-23(16-28-25)29-17-20-10-12-27-13-11-20/h2-9,14,16,20,27H,10-13,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A after 60 mins MAO-glo assay				J Med Chem 59: 253-63 (2016) Article DOI: 10.1021/acs.jmedchem.5b01361 BindingDB Entry DOI: 10.7270/Q23J3FSW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50142189 (CHEMBL3759239 | US10329256, Example 5 | US9487512,...) Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)C1CCNCC1 |r| Show InChI InChI=1S/C15H22N2/c1-2-4-13(5-3-1)14-10-15(14)17-11-12-6-8-16-9-7-12/h1-5,12,14-17H,6-11H2/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A after 60 mins MAO-glo assay				J Med Chem 59: 253-63 (2016) Article DOI: 10.1021/acs.jmedchem.5b01361 BindingDB Entry DOI: 10.7270/Q23J3FSW
					More data for this Ligand-Target Pair