Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50030520   

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))	BDBM50297422 (1-(3-(2,6-dihydroxyphenyl)-5-m-tolyl-4,5-dihydro-1...) Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1c(O)cccc1O |c:4| Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-6-13(9-11)15-10-14(19-20(15)12(2)21)18-16(22)7-4-8-17(18)23/h3-9,15,22-23H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM19187 ((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...) Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50172756 (Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...) Show SMILES CN(CC#C)Cc1ccccc1 Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297423 (4,5-Dihydro-(1H)-pyrazole derivative, 2h | 4-(1-ph...) Show SMILES Oc1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:8| Show InChI InChI=1S/C15H14N2O/c18-14-8-6-12(7-9-14)15-10-11-17(16-15)13-4-2-1-3-5-13/h1-9,18H,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297424 ((E)-3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid et...) Show SMILES CCOC(=O)\C=C\c1ccc(O)c(OC)c1 Show InChI InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297425 (2-methoxybenzene-1,4-diol | CHEMBL551075) Show SMILES COc1cc(O)ccc1O Show InChI InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50261922 (CHEMBL468852 | trans-2-fluoro-2-p-tolylcyclopropan...) Show SMILES Cc1ccc(cc1)[C@@]1(F)C[C@@H]1N |r| Show InChI InChI=1S/C10H12FN/c1-7-2-4-8(5-3-7)10(11)6-9(10)12/h2-5,9H,6,12H2,1H3/t9-,10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50116067 ((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r| Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50261915 (CHEMBL455782 | trans-2-fluoro-2-phenylcyclopropyla...) Show SMILES N[C@H]1C[C@]1(F)c1ccccc1 |r| Show InChI InChI=1S/C9H10FN/c10-9(6-8(9)11)7-4-2-1-3-5-7/h1-5,8H,6,11H2/t8-,9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50113851 ((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...) Show SMILES NC1CC1c1ccccc1 Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297426 (CHEMBL557213 | N-ethyl-3-(4-methoxyphenyl)-5-(thio...) Show SMILES CCNC(=S)N1N=C(CC1c1cccs1)c1ccc(OC)cc1 |c:6| Show InChI InChI=1S/C17H19N3OS2/c1-3-18-17(22)20-15(16-5-4-10-23-16)11-14(19-20)12-6-8-13(21-2)9-7-12/h4-10,15H,3,11H2,1-2H3,(H,18,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297427 (1-(5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H...) Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1ccccc1 |c:13| Show InChI InChI=1S/C19H20N2O3/c1-13(22)21-17(12-16(20-21)14-7-5-4-6-8-14)15-9-10-18(23-2)19(11-15)24-3/h4-11,17H,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297428 (1-(3-(2,4-dihydroxyphenyl)-5-phenyl-4,5-dihydro-1H...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccc(O)cc1O |c:4| Show InChI InChI=1S/C17H16N2O3/c1-11(20)19-16(12-5-3-2-4-6-12)10-15(18-19)14-8-7-13(21)9-17(14)22/h2-9,16,21-22H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297429 (1-(3-phenyl-5-o-tolyl-4,5-dihydro-1H-pyrazol-1-yl)...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccccc1 |c:4| Show InChI InChI=1S/C18H18N2O/c1-13-8-6-7-11-16(13)18-12-17(19-20(18)14(2)21)15-9-4-3-5-10-15/h3-11,18H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297430 (1-(3-(2,4-dimethoxyphenyl)-5-o-tolyl-4,5-dihydro-1...) Show SMILES COc1ccc(C2=NN(C(C2)c2ccccc2C)C(C)=O)c(OC)c1 |t:6| Show InChI InChI=1S/C20H22N2O3/c1-13-7-5-6-8-16(13)19-12-18(21-22(19)14(2)23)17-10-9-15(24-3)11-20(17)25-4/h5-11,19H,12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297431 (1-phenyl-3-p-tolyl-4,5-dihydro-1H-pyrazole | 4,5-D...) Show SMILES Cc1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:8| Show InChI InChI=1S/C16H16N2/c1-13-7-9-14(10-8-13)16-11-12-18(17-16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50131698 ((Z)-resveratrol | 5-[(1Z)-2-(4-hydroxyphenyl)ethen...) Show SMILES Oc1ccc(\C=C/c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297432 (3-(4-methoxyphenyl)-5-(thiophen-2-yl)-N-vinyl-4,5-...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=S)N=CC |w:21.24,t:9| Show InChI InChI=1S/C17H17N3OS2/c1-3-18-17(22)20-15(16-5-4-10-23-16)11-14(19-20)12-6-8-13(21-2)9-7-12/h3-10,15H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297433 (1-(3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-...) Show SMILES COc1ccc(cc1OC)C1=NN(CC1)C(C)=O |t:11| Show InChI InChI=1S/C13H16N2O3/c1-9(16)15-7-6-11(14-15)10-4-5-12(17-2)13(8-10)18-3/h4-5,8H,6-7H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297434 (3-(4-methoxyphenyl)-N-phenyl-5-(thiophen-2-yl)-4,5...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=S)Nc1ccccc1 |t:9| Show InChI InChI=1S/C21H19N3OS2/c1-25-17-11-9-15(10-12-17)18-14-19(20-8-5-13-27-20)24(23-18)21(26)22-16-6-3-2-4-7-16/h2-13,19H,14H2,1H3,(H,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297435 (1-(3-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-...) Show SMILES COc1ccc(OC)c(c1)C1=NN(CC1)C(C)=O |t:11| Show InChI InChI=1S/C13H16N2O3/c1-9(16)15-7-6-12(14-15)11-8-10(17-2)4-5-13(11)18-3/h4-5,8H,6-7H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297436 (CHEMBL558263 | N-allyl-5-(thiophen-2-yl)-3-p-tolyl...) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=S)NCC=C |t:8| Show InChI InChI=1S/C18H19N3S2/c1-3-10-19-18(22)21-16(17-5-4-11-23-17)12-15(20-21)14-8-6-13(2)7-9-14/h3-9,11,16H,1,10,12H2,2H3,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair