Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50003806   

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 (Bos taurus)	BDBM50476100 (CHEMBL220548) Show SMILES Cc1csc(N\N=C\c2ccccc2)n1 Show InChI InChI=1S/C11H11N3S/c1-9-8-15-11(13-9)14-12-7-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476101 (CHEMBL221392) Show SMILES Cc1csc(N\N=C\c2ccc(Cl)cc2Cl)n1 Show InChI InChI=1S/C11H9Cl2N3S/c1-7-6-17-11(15-7)16-14-5-8-2-3-9(12)4-10(8)13/h2-6H,1H3,(H,15,16)/b14-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476114 (CHEMBL385124) Show SMILES COc1ccc(\C=N\Nc2nc(C)cs2)cc1OC Show InChI InChI=1S/C13H15N3O2S/c1-9-8-19-13(15-9)16-14-7-10-4-5-11(17-2)12(6-10)18-3/h4-8H,1-3H3,(H,15,16)/b14-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476107 (CHEMBL375007) Show SMILES COc1ccc(\C=N\Nc2nc(C)cs2)cc1 Show InChI InChI=1S/C12H13N3OS/c1-9-8-17-12(14-9)15-13-7-10-3-5-11(16-2)6-4-10/h3-8H,1-2H3,(H,14,15)/b13-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50326652 (1-cyclohexylidene-2-(4-phenylthiazol-2-yl)hydrazin...) Show SMILES [#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C15H17N3S/c1-3-7-12(8-4-1)14-11-19-15(16-14)18-17-13-9-5-2-6-10-13/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476106 (CHEMBL385117) Show SMILES Cc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C17H14N2S/c1-13-7-9-14(10-8-13)11-18-17-19-16(12-20-17)15-5-3-2-4-6-15/h2-12H,1H3/b18-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476113 (CHEMBL425640) Show SMILES COc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1OC Show InChI InChI=1S/C18H17N3O2S/c1-22-16-9-8-13(10-17(16)23-2)11-19-21-18-20-15(12-24-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,21)/b19-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476108 (CHEMBL217916) Show SMILES Cc1csc(\N=C\c2ccccc2C)n1 Show InChI InChI=1S/C12H12N2S/c1-9-5-3-4-6-11(9)7-13-12-14-10(2)8-15-12/h3-8H,1-2H3/b13-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476111 (CHEMBL375807) Show SMILES Cc1csc(N\N=C\c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C11H10ClN3S/c1-8-7-16-11(14-8)15-13-6-9-2-4-10(12)5-3-9/h2-7H,1H3,(H,14,15)/b13-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476104 (CHEMBL375539) Show SMILES CC1CCCC\C1=N/Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C16H19N3S/c1-12-7-5-6-10-14(12)18-19-16-17-15(11-20-16)13-8-3-2-4-9-13/h2-4,8-9,11-12H,5-7,10H2,1H3,(H,17,19)/b18-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476112 (CHEMBL385122) Show SMILES COc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C17H15N3OS/c1-21-15-9-7-13(8-10-15)11-18-20-17-19-16(12-22-17)14-5-3-2-4-6-14/h2-12H,1H3,(H,19,20)/b18-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476110 (CHEMBL218073) Show SMILES Cc1ccccc1\C=N\c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C17H14N2S/c1-13-7-5-6-10-15(13)11-18-17-19-16(12-20-17)14-8-3-2-4-9-14/h2-12H,1H3/b18-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476105 (CHEMBL221483) Show SMILES Clc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C16H11Cl2N3S/c17-13-7-6-12(14(18)8-13)9-19-21-16-20-15(10-22-16)11-4-2-1-3-5-11/h1-10H,(H,20,21)/b19-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50326644 (1-(4-methylcyclohexylidene)-2-(4-phenylthiazol-2-y...) Show SMILES [#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C16H19N3S/c1-12-7-9-14(10-8-12)18-19-16-17-15(11-20-16)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,19)/b18-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476103 (CHEMBL435310) Show SMILES Clc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C16H12ClN3S/c17-14-8-6-12(7-9-14)10-18-20-16-19-15(11-21-16)13-4-2-1-3-5-13/h1-11H,(H,19,20)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50326626 (1-cyclopentylidene-2-(4-phenylthiazol-2-yl)hydrazi...) Show SMILES [#6]-1-[#6]-[#6]\[#6](-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H15N3S/c1-2-6-11(7-3-1)13-10-18-14(15-13)17-16-12-8-4-5-9-12/h1-3,6-7,10H,4-5,8-9H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476109 (CHEMBL375651) Show SMILES Cc1csc(\N=C\c2ccc(C)cc2)n1 Show InChI InChI=1S/C12H12N2S/c1-9-3-5-11(6-4-9)7-13-12-14-10(2)8-15-12/h3-8H,1-2H3/b13-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50476102 (CHEMBL412711) Show SMILES N(\N=C\c1ccccc1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C16H13N3S/c1-3-7-13(8-4-1)11-17-19-16-18-15(12-20-16)14-9-5-2-6-10-14/h1-12H,(H,18,19)/b17-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOA				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair