Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'bowdle' and Initial = 'j'   

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 (Rattus norvegicus (rat))	BDBM50287908 (1-[2-(2-Hydroxy-3-methoxy-propoxy)-5-(3-trifluorom...) Show SMILES COCC(O)COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O Show InChI InChI=1S/C20H21F3O5/c1-13(24)18-9-17(6-7-19(18)28-12-16(25)11-26-2)27-10-14-4-3-5-15(8-14)20(21,22)23/h3-9,16,25H,10-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287916 (4-[2-Acetyl-4-(3-trifluoromethyl-benzyloxy)-phenox...) Show SMILES CC(=O)c1cc(OCc2cccc(c2)C(F)(F)F)ccc1OCCCC#N Show InChI InChI=1S/C20H18F3NO3/c1-14(25)18-12-17(7-8-19(18)26-10-3-2-9-24)27-13-15-5-4-6-16(11-15)20(21,22)23/h4-8,11-12H,2-3,10,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50366447 (CHEMBL1907707) Show SMILES COC[C@H](O)COc1ccc(OCc2cccc(Cl)c2)cc1 |r| Show InChI InChI=1S/C17H19ClO4/c1-20-11-15(19)12-22-17-7-5-16(6-8-17)21-10-13-3-2-4-14(18)9-13/h2-9,15,19H,10-12H2,1H3/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50366449 (CHEMBL1907706) Show SMILES COC[C@H](COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)OC(C)=O |r| Show InChI InChI=1S/C22H23F3O6/c1-14(26)20-10-18(29-11-16-5-4-6-17(9-16)22(23,24)25)7-8-21(20)30-13-19(12-28-3)31-15(2)27/h4-10,19H,11-13H2,1-3H3/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50366448 (CHEMBL1907705) Show SMILES COC[C@@H](COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)OC(=O)OC |r| Show InChI InChI=1S/C22H23F3O7/c1-14(26)19-10-17(30-11-15-5-4-6-16(9-15)22(23,24)25)7-8-20(19)31-13-18(12-28-2)32-21(27)29-3/h4-10,18H,11-13H2,1-3H3/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50450415 (CHEMBL2092959) Show SMILES COC[C@@H](O)COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O |r| Show InChI InChI=1S/C20H21F3O5/c1-13(24)18-9-17(6-7-19(18)28-12-16(25)11-26-2)27-10-14-4-3-5-15(8-14)20(21,22)23/h3-9,16,25H,10-12H2,1-2H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50366445 (CHEMBL1907919) Show SMILES COC[C@@H](COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)OC(C)=O |r| Show InChI InChI=1S/C22H23F3O6/c1-14(26)20-10-18(29-11-16-5-4-6-17(9-16)22(23,24)25)7-8-21(20)30-13-19(12-28-3)31-15(2)27/h4-10,19H,11-13H2,1-3H3/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287893 (4-[4-(3-Chloro-benzyloxy)-2-formyl-phenoxy]-butyro...) Show SMILES Clc1cccc(COc2ccc(OCCCC#N)c(C=O)c2)c1 Show InChI InChI=1S/C18H16ClNO3/c19-16-5-3-4-14(10-16)13-23-17-6-7-18(15(11-17)12-21)22-9-2-1-8-20/h3-7,10-12H,1-2,9,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287912 (1-[2-(3-Hydroxy-propoxy)-5-(3-trifluoromethyl-benz...) Show SMILES CC(=O)c1cc(OCc2cccc(c2)C(F)(F)F)ccc1OCCCO Show InChI InChI=1S/C19H19F3O4/c1-13(24)17-11-16(6-7-18(17)25-9-3-8-23)26-12-14-4-2-5-15(10-14)19(20,21)22/h2,4-7,10-11,23H,3,8-9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50366450 (CHEMBL1907920) Show SMILES COC[C@H](O)COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O |r| Show InChI InChI=1S/C20H21F3O5/c1-13(24)18-9-17(6-7-19(18)28-12-16(25)11-26-2)27-10-14-4-3-5-15(8-14)20(21,22)23/h3-9,16,25H,10-12H2,1-2H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287902 (4-[2-Acetyl-4-(3-chloro-benzyloxy)-phenoxy]-butyro...) Show SMILES CC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCC#N Show InChI InChI=1S/C19H18ClNO3/c1-14(22)18-12-17(7-8-19(18)23-10-3-2-9-21)24-13-15-5-4-6-16(20)11-15/h4-8,11-12H,2-3,10,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287904 (1-[5-(3-Chloro-benzyloxy)-2-(2-hydroxy-3-methoxy-p...) Show SMILES COCC(O)COc1ccc(OCc2cccc(Cl)c2)cc1C(C)=O Show InChI InChI=1S/C19H21ClO5/c1-13(21)18-9-17(24-10-14-4-3-5-15(20)8-14)6-7-19(18)25-12-16(22)11-23-2/h3-9,16,22H,10-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287911 (4-[4-(3-Chloro-benzyloxy)-phenoxy]-butyronitrile |...) Show SMILES Clc1cccc(COc2ccc(OCCCC#N)cc2)c1 Show InChI InChI=1S/C17H16ClNO2/c18-15-5-3-4-14(12-15)13-21-17-8-6-16(7-9-17)20-11-2-1-10-19/h3-9,12H,1-2,11,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50366446 (CHEMBL1907921) Show SMILES COC[C@H](O)COc1ccc(OCc2cccc(Cl)c2)cc1C(C)=O |r| Show InChI InChI=1S/C19H21ClO5/c1-13(21)18-9-17(24-10-14-4-3-5-15(20)8-14)6-7-19(18)25-12-16(22)11-23-2/h3-9,16,22H,10-12H2,1-2H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287919 (4-[2-Acetyl-4-(3-methyl-benzyloxy)-phenoxy]-butyro...) Show SMILES CC(=O)c1cc(OCc2cccc(C)c2)ccc1OCCCC#N Show InChI InChI=1S/C20H21NO3/c1-15-6-5-7-17(12-15)14-24-18-8-9-20(19(13-18)16(2)22)23-11-4-3-10-21/h5-9,12-13H,3-4,11,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287905 (1-[5-(3-Chloro-benzyloxy)-2-(3-hydroxy-propoxy)-ph...) Show SMILES CC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCO Show InChI InChI=1S/C18H19ClO4/c1-13(21)17-11-16(6-7-18(17)22-9-3-8-20)23-12-14-4-2-5-15(19)10-14/h2,4-7,10-11,20H,3,8-9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287909 (4-[2-Acetyl-4-(3,4-dichloro-benzyloxy)-phenoxy]-bu...) Show SMILES CC(=O)c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCCCC#N Show InChI InChI=1S/C19H17Cl2NO3/c1-13(23)16-11-15(5-7-19(16)24-9-3-2-8-22)25-12-14-4-6-17(20)18(21)10-14/h4-7,10-11H,2-3,9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287899 (1-[5-(3-Fluoro-benzyloxy)-2-(3-hydroxy-propoxy)-ph...) Show SMILES CC(=O)c1cc(OCc2cccc(F)c2)ccc1OCCCO Show InChI InChI=1S/C18H19FO4/c1-13(21)17-11-16(6-7-18(17)22-9-3-8-20)23-12-14-4-2-5-15(19)10-14/h2,4-7,10-11,20H,3,8-9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287922 (4-[2-Acetyl-4-(3-fluoro-benzyloxy)-phenoxy]-butyro...) Show SMILES CC(=O)c1cc(OCc2cccc(F)c2)ccc1OCCCC#N Show InChI InChI=1S/C19H18FNO3/c1-14(22)18-12-17(7-8-19(18)23-10-3-2-9-21)24-13-15-5-4-6-16(20)11-15/h4-8,11-12H,2-3,10,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287907 (4-[2-Acetyl-4-(3-methoxy-benzyloxy)-phenoxy]-butyr...) Show SMILES COc1cccc(COc2ccc(OCCCC#N)c(c2)C(C)=O)c1 Show InChI InChI=1S/C20H21NO4/c1-15(22)19-13-18(8-9-20(19)24-11-4-3-10-21)25-14-16-6-5-7-17(12-16)23-2/h5-9,12-13H,3-4,11,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50366451 (CHEMBL1907918) Show SMILES COC[C@H](COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)OC(=O)OC |r| Show InChI InChI=1S/C22H23F3O7/c1-14(26)19-10-17(30-11-15-5-4-6-16(9-15)22(23,24)25)7-8-20(19)31-13-18(12-28-2)32-21(27)29-3/h4-10,18H,11-13H2,1-3H3/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287894 (4-[2-Acetyl-4-(3,5-dimethoxy-benzyloxy)-phenoxy]-b...) Show SMILES COc1cc(COc2ccc(OCCCC#N)c(c2)C(C)=O)cc(OC)c1 Show InChI InChI=1S/C21H23NO5/c1-15(23)20-13-17(6-7-21(20)26-9-5-4-8-22)27-14-16-10-18(24-2)12-19(11-16)25-3/h6-7,10-13H,4-5,9,14H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287903 (1-[5-(3-Fluoro-benzyloxy)-2-(2-hydroxy-3-methoxy-p...) Show SMILES COCC(O)COc1ccc(OCc2cccc(F)c2)cc1C(C)=O Show InChI InChI=1S/C19H21FO5/c1-13(21)18-9-17(24-10-14-4-3-5-15(20)8-14)6-7-19(18)25-12-16(22)11-23-2/h3-9,16,22H,10-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287915 (CHEMBL277096 | [4-(3-Chloro-benzyloxy)-2-formyl-ph...) Show SMILES Clc1cccc(COc2ccc(OCC#N)c(C=O)c2)c1 Show InChI InChI=1S/C16H12ClNO3/c17-14-3-1-2-12(8-14)11-21-15-4-5-16(20-7-6-18)13(9-15)10-19/h1-5,8-10H,7,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287901 (4-[4-(3-Chloro-benzyloxy)-2-methoxymethyl-phenoxy]...) Show SMILES COCc1cc(OCc2cccc(Cl)c2)ccc1OCCCC#N Show InChI InChI=1S/C19H20ClNO3/c1-22-14-16-12-18(7-8-19(16)23-10-3-2-9-21)24-13-15-5-4-6-17(20)11-15/h4-8,11-12H,2-3,10,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287906 (4-[4-(3-Chloro-benzyloxy)-2-propionyl-phenoxy]-but...) Show SMILES CCC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCC#N Show InChI InChI=1S/C20H20ClNO3/c1-2-19(23)18-13-17(8-9-20(18)24-11-4-3-10-22)25-14-15-6-5-7-16(21)12-15/h5-9,12-13H,2-4,11,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287897 (4-[2-Acetyl-4-(3,4-dimethyl-benzyloxy)-phenoxy]-bu...) Show SMILES CC(=O)c1cc(OCc2ccc(C)c(C)c2)ccc1OCCCC#N Show InChI InChI=1S/C21H23NO3/c1-15-6-7-18(12-16(15)2)14-25-19-8-9-21(20(13-19)17(3)23)24-11-5-4-10-22/h6-9,12-13H,4-5,11,14H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287900 (4-(2-Acetyl-4-benzyloxy-phenoxy)-butyronitrile | C...) Show SMILES CC(=O)c1cc(OCc2ccccc2)ccc1OCCCC#N Show InChI InChI=1S/C19H19NO3/c1-15(21)18-13-17(23-14-16-7-3-2-4-8-16)9-10-19(18)22-12-6-5-11-20/h2-4,7-10,13H,5-6,12,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287918 (5-[2-Acetyl-4-(3-chloro-benzyloxy)-phenoxy]-pentan...) Show SMILES CC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCCC#N Show InChI InChI=1S/C20H20ClNO3/c1-15(23)19-13-18(25-14-16-6-5-7-17(21)12-16)8-9-20(19)24-11-4-2-3-10-22/h5-9,12-13H,2-4,11,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287910 (4-[4-(3-Fluoro-benzyloxy)-2-propionyl-phenoxy]-but...) Show SMILES CCC(=O)c1cc(OCc2cccc(F)c2)ccc1OCCCC#N Show InChI InChI=1S/C20H20FNO3/c1-2-19(23)18-13-17(8-9-20(18)24-11-4-3-10-22)25-14-15-6-5-7-16(21)12-15/h5-9,12-13H,2-4,11,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287895 (4-[3-Acetyl-4-(3,4-dichloro-benzyloxy)-phenoxy]-bu...) Show SMILES CC(=O)c1cc(OCCCC#N)ccc1OCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H17Cl2NO3/c1-13(23)16-11-15(24-9-3-2-8-22)5-7-19(16)25-12-14-4-6-17(20)18(21)10-14/h4-7,10-11H,2-3,9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287920 (4-[3-Acetyl-4-(3-chloro-benzyloxy)-phenoxy]-butyro...) Show SMILES CC(=O)c1cc(OCCCC#N)ccc1OCc1cccc(Cl)c1 Show InChI InChI=1S/C19H18ClNO3/c1-14(22)18-12-17(23-10-3-2-9-21)7-8-19(18)24-13-15-5-4-6-16(20)11-15/h4-8,11-12H,2-3,10,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287914 (5-(3-Chloro-benzyloxy)-2-cyanomethoxy-benzoic acid...) Show SMILES COC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCC#N Show InChI InChI=1S/C17H14ClNO4/c1-21-17(20)15-10-14(5-6-16(15)22-8-7-19)23-11-12-3-2-4-13(18)9-12/h2-6,9-10H,8,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287923 (4-[4-(3-Chloro-benzyloxy)-2-hydroxymethyl-phenoxy]...) Show SMILES OCc1cc(OCc2cccc(Cl)c2)ccc1OCCCC#N Show InChI InChI=1S/C18H18ClNO3/c19-16-5-3-4-14(10-16)13-23-17-6-7-18(15(11-17)12-21)22-9-2-1-8-20/h3-7,10-11,21H,1-2,9,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287892 (CHEMBL18969 | [4-(3-Chloro-benzyloxy)-2-hydroxymet...) Show SMILES OCc1cc(OCc2cccc(Cl)c2)ccc1OCC#N Show InChI InChI=1S/C16H14ClNO3/c17-14-3-1-2-12(8-14)11-21-15-4-5-16(20-7-6-18)13(9-15)10-19/h1-5,8-9,19H,7,10-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287921 (5-(3-Chloro-benzyloxy)-2-(3-cyano-propoxy)-benzoic...) Show SMILES COC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCC#N Show InChI InChI=1S/C19H18ClNO4/c1-23-19(22)17-12-16(7-8-18(17)24-10-3-2-9-21)25-13-14-5-4-6-15(20)11-14/h4-8,11-12H,2-3,10,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50287898 (5-(3-Chloro-benzyloxy)-2-(4-cyano-butoxy)-benzoic ...) Show SMILES COC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCCC#N Show InChI InChI=1S/C20H20ClNO4/c1-24-20(23)18-13-17(26-14-15-6-5-7-16(21)12-15)8-9-19(18)25-11-4-2-3-10-22/h5-9,12-13H,2-4,11,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair