Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50014105   

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))	BDBM50327224 (4-Benzyl-[1,2,4]triazolo[4,3-a]quinoxaline | CHEMB...) Show SMILES C(c1ccccc1)c1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C16H12N4/c1-2-6-12(7-3-1)10-14-16-19-17-11-20(16)15-9-5-4-8-13(15)18-14/h1-9,11H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50073514 (CHEMBL3408913) Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI InChI=1S/C25H22N4O3/c1-17-11-13-19(14-12-17)24(31)28-27-23(30)16-29-22-10-6-5-9-20(22)26-21(25(29)32)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50572690 (CHEMBL4852596) Show SMILES O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)NNC(=S)Nc1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50572689 (CHEMBL4871376) Show SMILES NC(=S)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50572691 (CHEMBL4862110) Show SMILES CCOC(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50073542 (CHEMBL3408929) Show SMILES CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI InChI=1S/C30H31N3O4/c1-30(2,3)37-29(36)25(19-22-14-8-5-9-15-22)32-27(34)20-33-26-17-11-10-16-23(26)31-24(28(33)35)18-21-12-6-4-7-13-21/h4-17,25H,18-20H2,1-3H3,(H,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50572692 (CHEMBL4878125) Show SMILES OCC(O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50572696 (CHEMBL4875623) Show SMILES C(C1=Nc2ccccc2NC1N\N=C\c1ccccc1)c1ccccc1 |t:1| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113558 BindingDB Entry DOI: 10.7270/Q21R6V95
					More data for this Ligand-Target Pair