Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50005770   

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))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot ...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated ...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM11022 (2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...) Show SMILES O=C1Nc2ccccc2C1=O Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated f...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494371 (CHEMBL3086339) Show SMILES CN(CCCCCCCCCCCCN=C=S)Cc1ccccc1 Show InChI InChI=1S/C21H34N2S/c1-23(19-21-15-11-10-12-16-21)18-14-9-7-5-3-2-4-6-8-13-17-22-20-24/h10-12,15-16H,2-9,13-14,17-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Competitive inhibition of MAOA in human SH-SY5Y cells using p-tyramine as substrate preincubated for 5 mins by Lineweaver-Burk plot analysis				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494371 (CHEMBL3086339) Show SMILES CN(CCCCCCCCCCCCN=C=S)Cc1ccccc1 Show InChI InChI=1S/C21H34N2S/c1-23(19-21-15-11-10-12-16-21)18-14-9-7-5-3-2-4-6-8-13-17-22-20-24/h10-12,15-16H,2-9,13-14,17-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot ...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494371 (CHEMBL3086339) Show SMILES CN(CCCCCCCCCCCCN=C=S)Cc1ccccc1 Show InChI InChI=1S/C21H34N2S/c1-23(19-21-15-11-10-12-16-21)18-14-9-7-5-3-2-4-6-8-13-17-22-20-24/h10-12,15-16H,2-9,13-14,17-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated f...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM11022 (2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...) Show SMILES O=C1Nc2ccccc2C1=O Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot a...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494369 (CHEMBL3086344) Show SMILES NCCCNCCCCNCCCNCc1cccs1 Show InChI InChI=1S/C15H30N4S/c16-7-4-10-17-8-1-2-9-18-11-5-12-19-14-15-6-3-13-20-15/h3,6,13,17-19H,1-2,4-5,7-12,14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated fo...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494370 (CHEMBL3086341) Show SMILES C(CCCCCCNCc1ccccc1)CCCCCNCc1ccccc1 Show InChI InChI=1S/C26H40N2/c1(3-5-7-15-21-27-23-25-17-11-9-12-18-25)2-4-6-8-16-22-28-24-26-19-13-10-14-20-26/h9-14,17-20,27-28H,1-8,15-16,21-24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494370 (CHEMBL3086341) Show SMILES C(CCCCCCNCc1ccccc1)CCCCCNCc1ccccc1 Show InChI InChI=1S/C26H40N2/c1(3-5-7-15-21-27-23-25-17-11-9-12-18-25)2-4-6-8-16-22-28-24-26-19-13-10-14-20-26/h9-14,17-20,27-28H,1-8,15-16,21-24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated fo...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494368 (CHEMBL1185605) Show SMILES NCCCNCCCCNCCCNCc1ccccc1 Show InChI InChI=1S/C17H32N4/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-16-17-8-2-1-3-9-17/h1-3,8-9,19-21H,4-7,10-16,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494370 (CHEMBL3086341) Show SMILES C(CCCCCCNCc1ccccc1)CCCCCNCc1ccccc1 Show InChI InChI=1S/C26H40N2/c1(3-5-7-15-21-27-23-25-17-11-9-12-18-25)2-4-6-8-16-22-28-24-26-19-13-10-14-20-26/h9-14,17-20,27-28H,1-8,15-16,21-24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494368 (CHEMBL1185605) Show SMILES NCCCNCCCCNCCCNCc1ccccc1 Show InChI InChI=1S/C17H32N4/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-16-17-8-2-1-3-9-17/h1-3,8-9,19-21H,4-7,10-16,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.88E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494369 (CHEMBL3086344) Show SMILES NCCCNCCCCNCCCNCc1cccs1 Show InChI InChI=1S/C15H30N4S/c16-7-4-10-17-8-1-2-9-18-11-5-12-19-14-15-6-3-13-20-15/h3,6,13,17-19H,1-2,4-5,7-12,14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494368 (CHEMBL1185605) Show SMILES NCCCNCCCCNCCCNCc1ccccc1 Show InChI InChI=1S/C17H32N4/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-16-17-8-2-1-3-9-17/h1-3,8-9,19-21H,4-7,10-16,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.91E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated fo...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494369 (CHEMBL3086344) Show SMILES NCCCNCCCCNCCCNCc1cccs1 Show InChI InChI=1S/C15H30N4S/c16-7-4-10-17-8-1-2-9-18-11-5-12-19-14-15-6-3-13-20-15/h3,6,13,17-19H,1-2,4-5,7-12,14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.14E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated fo...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494368 (CHEMBL1185605) Show SMILES NCCCNCCCCNCCCNCc1ccccc1 Show InChI InChI=1S/C17H32N4/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-16-17-8-2-1-3-9-17/h1-3,8-9,19-21H,4-7,10-16,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.85E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated fo...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494369 (CHEMBL3086344) Show SMILES NCCCNCCCCNCCCNCc1cccs1 Show InChI InChI=1S/C15H30N4S/c16-7-4-10-17-8-1-2-9-18-11-5-12-19-14-15-6-3-13-20-15/h3,6,13,17-19H,1-2,4-5,7-12,14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.97E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494370 (CHEMBL3086341) Show SMILES C(CCCCCCNCc1ccccc1)CCCCCNCc1ccccc1 Show InChI InChI=1S/C26H40N2/c1(3-5-7-15-21-27-23-25-17-11-9-12-18-25)2-4-6-8-16-22-28-24-26-19-13-10-14-20-26/h9-14,17-20,27-28H,1-8,15-16,21-24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.05E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated fo...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair