Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50048190   

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] B (Homo sapiens (Human))	BDBM10989 ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207441 (CHEMBL3961309) Show SMILES COc1cc2OC\C(=C/c3cccc(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C18H16O5/c1-21-16-8-14-15(9-17(16)22-2)23-10-12(18(14)20)6-11-4-3-5-13(19)7-11/h3-9,19H,10H2,1-2H3/b12-6+	PDB UniProtKB/SwissProt antibodypedia 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
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207443 (CHEMBL3915922) Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCCC4)c(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H25NO5/c1-27-21-11-18-20(12-22(21)28-2)29-14-17(23(18)26)9-15-5-6-16(19(25)10-15)13-24-7-3-4-8-24/h5-6,9-12,25H,3-4,7-8,13-14H2,1-2H3/b17-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	722	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207455 (CHEMBL3924914) Show SMILES COc1cc2OC\C(=C/c3ccc(CN(C)C)c(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C21H23NO5/c1-22(2)11-14-6-5-13(8-17(14)23)7-15-12-27-18-10-20(26-4)19(25-3)9-16(18)21(15)24/h5-10,23H,11-12H2,1-4H3/b15-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	882	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207442 (CHEMBL3975706) Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCN(C)CC4)c(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C24H28N2O5/c1-25-6-8-26(9-7-25)14-17-5-4-16(11-20(17)27)10-18-15-31-21-13-23(30-3)22(29-2)12-19(21)24(18)28/h4-5,10-13,27H,6-9,14-15H2,1-3H3/b18-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	915	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207461 (CHEMBL3904918) Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCOCC4)c(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H25NO6/c1-27-21-11-18-20(12-22(21)28-2)30-14-17(23(18)26)9-15-3-4-16(19(25)10-15)13-24-5-7-29-8-6-24/h3-4,9-12,25H,5-8,13-14H2,1-2H3/b17-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207452 (CHEMBL3983738) Show SMILES COc1ccccc1CN(C)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O Show InChI InChI=1S/C28H29NO6/c1-29(16-20-7-5-6-8-24(20)32-2)15-19-10-9-18(12-23(19)30)11-21-17-35-25-14-27(34-4)26(33-3)13-22(25)28(21)31/h5-14,30H,15-17H2,1-4H3/b21-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207444 (CHEMBL3913913) Show SMILES COc1cc2OC\C(=C/c3ccc(CN(C)Cc4ccccc4)c(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C27H27NO5/c1-28(15-18-7-5-4-6-8-18)16-20-10-9-19(12-23(20)29)11-21-17-33-24-14-26(32-3)25(31-2)13-22(24)27(21)30/h4-14,29H,15-17H2,1-3H3/b21-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207458 (CHEMBL3928434) Show SMILES CCN(Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C Show InChI InChI=1S/C30H34N2O5/c1-6-32(17-21-9-7-8-10-25(21)31(2)3)18-22-12-11-20(14-26(22)33)13-23-19-37-27-16-29(36-5)28(35-4)15-24(27)30(23)34/h7-16,33H,6,17-19H2,1-5H3/b23-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207450 (CHEMBL3956126) Show SMILES CCN(Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1OC Show InChI InChI=1S/C29H31NO6/c1-5-30(17-21-8-6-7-9-25(21)33-2)16-20-11-10-19(13-24(20)31)12-22-18-36-26-15-28(35-4)27(34-3)14-23(26)29(22)32/h6-15,31H,5,16-18H2,1-4H3/b22-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207457 (CHEMBL3984772) Show SMILES CCN(Cc1ccccc1)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O Show InChI InChI=1S/C28H29NO5/c1-4-29(16-19-8-6-5-7-9-19)17-21-11-10-20(13-24(21)30)12-22-18-34-25-15-27(33-3)26(32-2)14-23(25)28(22)31/h5-15,30H,4,16-18H2,1-3H3/b22-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207456 (CHEMBL3943883) Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCCCC4)c(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C24H27NO5/c1-28-22-12-19-21(13-23(22)29-2)30-15-18(24(19)27)10-16-6-7-17(20(26)11-16)14-25-8-4-3-5-9-25/h6-7,10-13,26H,3-5,8-9,14-15H2,1-2H3/b18-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM29136 (CHEMBL92401 | Euphozid | Iprazid | Iproniazid) Show SMILES CC(C)NNC(=O)c1ccncc1 Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207440 (CHEMBL3952627) Show SMILES CCN(CC)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O Show InChI InChI=1S/C23H27NO5/c1-5-24(6-2)13-16-8-7-15(10-19(16)25)9-17-14-29-20-12-22(28-4)21(27-3)11-18(20)23(17)26/h7-12,25H,5-6,13-14H2,1-4H3/b17-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (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	Article PubMed	n/a	n/a	4.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50207453 (CHEMBL3905844) Show SMILES COc1cc2OC\C(=C/c3ccc(O)c(CN4CCCCC4)c3)C(=O)c2cc1OC Show InChI InChI=1S/C24H27NO5/c1-28-22-12-19-21(13-23(22)29-2)30-15-18(24(19)27)11-16-6-7-20(26)17(10-16)14-25-8-4-3-5-9-25/h6-7,10-13,26H,3-5,8-9,14-15H2,1-2H3/b18-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
					More data for this Ligand-Target Pair