Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50039666   

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 (Rattus norvegicus (rat))	BDBM50381960 (CHEMBL2022927) Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C20H20N2O/c1-3-11-22(2)14-18-12-17-13-19(9-10-20(17)21-18)23-15-16-7-5-4-6-8-16/h1,4-10,12-13,21H,11,14-15H2,2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359390 (CHEMBL1929418 | CHEMBL2022924) Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2n1C Show InChI InChI=1S/C21H22N2O/c1-4-12-22(2)15-19-13-18-14-20(10-11-21(18)23(19)3)24-16-17-8-6-5-7-9-17/h1,5-11,13-14H,12,15-16H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381961 (CHEMBL2022928) Show SMILES CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C21H22N2O/c1-3-4-12-23(2)15-19-13-18-14-20(10-11-21(18)22-19)24-16-17-8-6-5-7-9-17/h5-11,13-14,22H,12,15-16H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381957 (CHEMBL2022925) Show SMILES CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2n1C Show InChI InChI=1S/C22H24N2O/c1-4-5-13-23(2)16-20-14-19-15-21(11-12-22(19)24(20)3)25-17-18-9-7-6-8-10-18/h6-12,14-15H,13,16-17H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381958 (CHEMBL2022926) Show SMILES CN(CC=C=C)Cc1cc2cc(OCc3ccccc3)ccc2n1C Show InChI InChI=1S/C22H24N2O/c1-4-5-13-23(2)16-20-14-19-15-21(11-12-22(19)24(20)3)25-17-18-9-7-6-8-10-18/h5-12,14-15H,1,13,16-17H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381959 (CHEMBL2021938) Show SMILES C#CC[NH2+]Cc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381955 (CHEMBL2022923) Show SMILES CNCc1cc2cc(OCc3ccccc3)ccc2n1C Show InChI InChI=1S/C18H20N2O/c1-19-12-16-10-15-11-17(8-9-18(15)20(16)2)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381953 (CHEMBL2022929) Show SMILES Nc1c2CN(CC#C)CCc2nc2ccccc12 Show InChI InChI=1S/C15H15N3/c1-2-8-18-9-7-14-12(10-18)15(16)11-5-3-4-6-13(11)17-14/h1,3-6H,7-10H2,(H2,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.41E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381954 (CHEMBL2022934) Show SMILES Nc1c2CN(CC#C)CCc2nc2nc(N3CCCCC3)c(cc12)C#N Show InChI InChI=1S/C20H22N6/c1-2-7-25-10-6-17-16(13-25)18(22)15-11-14(12-21)20(24-19(15)23-17)26-8-4-3-5-9-26/h1,11H,3-10,13H2,(H2,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381963 (CHEMBL2022931) Show SMILES COc1nc2nc3CCN(CC#C)Cc3c(N)c2cc1C#N Show InChI InChI=1S/C16H15N5O/c1-3-5-21-6-4-13-12(9-21)14(18)11-7-10(8-17)16(22-2)20-15(11)19-13/h1,7H,4-6,9H2,2H3,(H2,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381952 (CHEMBL2022933) Show SMILES Nc1c2CN(CC#C)CCc2nc2nc(N3CCCC3)c(cc12)C#N Show InChI InChI=1S/C19H20N6/c1-2-6-24-9-5-16-15(12-24)17(21)14-10-13(11-20)19(23-18(14)22-16)25-7-3-4-8-25/h1,10H,3-9,12H2,(H2,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381964 (CHEMBL2022932) Show SMILES CN(C)c1nc2nc3CCN(CC#C)Cc3c(N)c2cc1C#N Show InChI InChI=1S/C17H18N6/c1-4-6-23-7-5-14-13(10-23)15(19)12-8-11(9-18)17(22(2)3)21-16(12)20-14/h1,8H,5-7,10H2,2-3H3,(H2,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381962 (CHEMBL2022930) Show SMILES Nc1c2CN(CC#C)CCc2nc2nc(Cl)c(cc12)C#N Show InChI InChI=1S/C15H12ClN5/c1-2-4-21-5-3-12-11(8-21)13(18)10-6-9(7-17)14(16)20-15(10)19-12/h1,6H,3-5,8H2,(H2,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+6	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair