Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'pystynen' 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
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315227 (CHEMBL1091204 | Isopropyl-3-chloro-5,6-dihydroxy-7...) Show SMILES CC(C)OC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C12H10ClNO6S/c1-4(2)20-12(17)11-7(13)5-3-6(15)9(16)8(14(18)19)10(5)21-11/h3-4,15-16H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315228 (Butyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thioph...) Show SMILES CCCCOC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C13H12ClNO6S/c1-2-3-4-21-13(18)12-8(14)6-5-7(16)10(17)9(15(19)20)11(6)22-12/h5,16-17H,2-4H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315220 ((2-oxo-1,3-dioxol-4-yl)methyl 3-chloro-5,6-dihydro...) Show SMILES Oc1cc2c(Cl)c(sc2c(c1O)[N+]([O-])=O)C(=O)OCc1coc(=O)o1 Show InChI InChI=1S/C13H6ClNO9S/c14-7-5-1-6(16)9(17)8(15(20)21)10(5)25-11(7)12(18)22-2-4-3-23-13(19)24-4/h1,3,16-17H,2H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315230 (CHEMBL1089504 | Methyl-3-chloro-5,6-dihydroxy-7-ni...) Show SMILES COC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C10H6ClNO6S/c1-18-10(15)9-5(11)3-2-4(13)7(14)6(12(16)17)8(3)19-9/h2,13-14H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315221 ((2-amino-3-methylbutanoyloxy)methyl 3-chloro-5,6-d...) Show SMILES CC(C)C(N)C(=O)OCOC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C15H15ClN2O8S/c1-5(2)9(17)14(21)25-4-26-15(22)13-8(16)6-3-7(19)11(20)10(18(23)24)12(6)27-13/h3,5,9,19-20H,4,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315229 (CHEMBL1089505 | Propyl-3-chloro-5,6-dihydroxy-7-ni...) Show SMILES CCCOC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C12H10ClNO6S/c1-2-3-20-12(17)11-7(13)5-4-6(15)9(16)8(14(18)19)10(5)21-11/h4,15-16H,2-3H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315226 (Benzyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiop...) Show SMILES Oc1cc2c(Cl)c(sc2c(c1O)[N+]([O-])=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C16H10ClNO6S/c17-11-9-6-10(19)13(20)12(18(22)23)14(9)25-15(11)16(21)24-7-8-4-2-1-3-5-8/h1-6,19-20H,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315223 (Butyryloxymethyl-3-chloro-5,6-dihydroxy-7-nitroben...) Show SMILES CCCC(=O)OCOC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C14H12ClNO8S/c1-2-3-8(18)23-5-24-14(20)13-9(15)6-4-7(17)11(19)10(16(21)22)12(6)25-13/h4,17,19H,2-3,5H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315222 (1-(Butyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-nitro...) Show SMILES CCCC(=O)OC(C)OC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C15H14ClNO8S/c1-3-4-9(19)24-6(2)25-15(21)14-10(16)7-5-8(18)12(20)11(17(22)23)13(7)26-14/h5-6,18,20H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315225 (CHEMBL1089537 | Isobutyryloxymethyl-3-chloro-5,6-d...) Show SMILES CC(C)C(=O)OCOC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C14H12ClNO8S/c1-5(2)13(19)23-4-24-14(20)12-8(15)6-3-7(17)10(18)9(16(21)22)11(6)25-12/h3,5,17-18H,4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315224 (1-(Isobutyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-ni...) Show SMILES CC(C)C(=O)OC(C)OC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C15H14ClNO8S/c1-5(2)14(20)24-6(3)25-15(21)13-9(16)7-4-8(18)11(19)10(17(22)23)12(7)26-13/h4-6,18-19H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017865 (2,5-Bis-(3,4-dihydroxy-5-nitro-benzylidene)-cyclop...) Show SMILES Oc1cc(\C=C2/CC\C(=C/c3cc(O)c(O)c(c3)[N+]([O-])=O)C2=O)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C19H14N2O9/c22-15-7-9(5-13(18(15)25)20(27)28)3-11-1-2-12(17(11)24)4-10-6-14(21(29)30)19(26)16(23)8-10/h3-8,22-23,25-26H,1-2H2/b11-3+,12-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017845 (3-(3,4-Dihydroxy-5-nitro-phenyl)-1-(3,4,5-trimetho...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H17NO8/c1-25-15-8-11(9-16(26-2)18(15)27-3)13(20)5-4-10-6-12(19(23)24)17(22)14(21)7-10/h4-9,21-22H,1-3H3/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (docked)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017857 (3-(3,4-Dihydroxy-5-nitro-phenyl)-1-phenyl-propenon...) Show SMILES Oc1cc(\C=C\C(=O)c2ccccc2)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C15H11NO5/c17-13(11-4-2-1-3-5-11)7-6-10-8-12(16(20)21)15(19)14(18)9-10/h1-9,18-19H/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (docked)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017846 (3,5-DINITROCATECHOL | 3,5-Dinitro-benzene-1,2-diol...) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017852 (4-(3,4-Dihydroxy-5-nitro-phenyl)-3-methyl-but-3-en...) Show SMILES CC(=O)C(C)=Cc1cc(O)c(O)c(c1)[N+]([O-])=O |w:5.5| Show InChI InChI=1S/C11H11NO5/c1-6(7(2)13)3-8-4-9(12(16)17)11(15)10(14)5-8/h3-5,14-15H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017844 (1-(3,4-Dihydroxy-5-nitro-phenyl)-ethanone | CHEMBL...) Show SMILES CC(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C8H7NO5/c1-4(10)5-2-6(9(13)14)8(12)7(11)3-5/h2-3,11-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (docked)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017848 (3-(3,4-Dihydroxy-5-nitro-benzylidene)-pentane-2,4-...) Show SMILES [#6]-[#6](=O)-[#6](=[#6]/c1cc(-[#8])c(-[#8])c(c1)-[#7+](-[#8-])=O)\[#6](-[#6])=O Show InChI InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017861 (2-Cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-N,N-dimet...) Show SMILES CN(C)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N Show InChI InChI=1S/C12H11N3O5/c1-14(2)12(18)8(6-13)3-7-4-9(15(19)20)11(17)10(16)5-7/h3-5,16-17H,1-2H3/b8-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017866 (CHEMBL350927 | N-Adamantan-1-yl-3,4-dihydroxy-5-ni...) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:20:23:16.15.17,21:16:23:20.22.19,THB:19:20:15:18.23.17,19:18:15:20.22.21| Show InChI InChI=1S/C17H20N2O5/c20-14-5-12(4-13(15(14)21)19(23)24)16(22)18-17-6-9-1-10(7-17)3-11(2-9)8-17/h4-5,9-11,20-21H,1-3,6-8H2,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017871 (2-(3,4-Dihydroxy-5-nitro-benzylidene)-malononitril...) Show SMILES [#8]-c1cc(\[#6]=[#6](\C#N)C#N)cc(c1-[#8])-[#7+](-[#8-])=O Show InChI InChI=1S/C10H5N3O4/c11-4-7(5-12)1-6-2-8(13(16)17)10(15)9(14)3-6/h1-3,14-15H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (docked)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50004043 (3,4-Dihydroxy-5-Nitrobenzaldehyde (Rat) | 3,4-Dihy...) Show SMILES Oc1cc(C=O)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-3,10-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (docked)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017867 (5-Chloro-3-nitro-benzene-1,2-diol | CHEMBL355017) Show SMILES Oc1cc(Cl)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C6H4ClNO4/c7-3-1-4(8(11)12)6(10)5(9)2-3/h1-2,9-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (docked)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017856 (3,4-Dihydroxy-5-nitro-benzonitrile | CHEMBL169891) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C#N Show InChI InChI=1S/C7H4N2O4/c8-3-4-1-5(9(12)13)7(11)6(10)2-4/h1-2,10-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (docked)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017870 (2-Cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-acrylic a...) Show SMILES CCOC(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N Show InChI InChI=1S/C12H10N2O6/c1-2-20-12(17)8(6-13)3-7-4-9(14(18)19)11(16)10(15)5-7/h3-5,15-16H,2H2,1H3/b8-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017863 (CHEMBL167172 | N-Adamantan-1-yl-3-cyano-4,5-dihydr...) Show SMILES Oc1cc(cc(C#N)c1O)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:21:13:16:19.20.18,21:19:13.14.22:16,18:17:14:19.21.20,18:19:14:17.22.16| Show InChI InChI=1S/C18H20N2O3/c19-9-14-4-13(5-15(21)16(14)22)17(23)20-18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,10-12,21-22H,1-3,6-8H2,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017853 (5-(3,4-Dihydroxy-5-nitro-phenyl)-pentanoic acid | ...) Show SMILES OC(=O)CCCCc1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C11H13NO6/c13-9-6-7(3-1-2-4-10(14)15)5-8(11(9)16)12(17)18/h5-6,13,16H,1-4H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (docked)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017862 (5-Formyl-2,3-dihydroxy-benzonitrile | CHEMBL169465) Show SMILES Oc1cc(C=O)cc(C#N)c1O Show InChI InChI=1S/C8H5NO3/c9-3-6-1-5(4-10)2-7(11)8(6)12/h1-2,4,11-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017860 (4,5-Dihydroxy-benzene-1,3-dicarbaldehyde | CHEMBL3...) Show SMILES Oc1cc(C=O)cc(C=O)c1O Show InChI InChI=1S/C8H6O4/c9-3-5-1-6(4-10)8(12)7(11)2-5/h1-4,11-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017869 (5-Hydroxymethyl-3-nitro-benzene-1,2-diol | CHEMBL3...) Show SMILES OCc1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C7H7NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-2,9-11H,3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (docked)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017868 (CHEMBL168451 | N-Adamantan-1-yl-3-chloro-4,5-dihyd...) Show SMILES Oc1cc(cc(Cl)c1O)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:12:19:16.15.17,THB:13:12:14.15.19:17,13:14:12.20.21:17,21:16:12.13.20:19| Show InChI InChI=1S/C17H20ClNO3/c18-13-4-12(5-14(20)15(13)21)16(22)19-17-6-9-1-10(7-17)3-11(2-9)8-17/h4-5,9-11,20-21H,1-3,6-8H2,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017858 (3,4-Dihydroxy-5-nitro-benzoic acid | CHEMBL170549) Show SMILES OC(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C7H5NO6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (docked)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017859 (CHEMBL352270 | N-Adamantan-1-yl-4,5-dihydroxy-2-ni...) Show SMILES Oc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(cc1O)[N+]([O-])=O |TLB:14:13:16:9.8.10,14:9:16:13.15.12,THB:12:13:8:11.16.10,12:11:8:13.15.14| Show InChI InChI=1S/C17H20N2O5/c20-14-4-12(13(19(23)24)5-15(14)21)16(22)18-17-6-9-1-10(7-17)3-11(2-9)8-17/h4-5,9-11,20-21H,1-3,6-8H2,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017851 (3-(3,4-Dihydroxy-5-trifluoromethyl-benzylidene)-pe...) Show SMILES [#6]-[#6](=O)-[#6](=[#6]/c1cc(-[#8])c(-[#8])c(c1)C(F)(F)F)\[#6](-[#6])=O Show InChI InChI=1S/C13H11F3O4/c1-6(17)9(7(2)18)3-8-4-10(13(14,15)16)12(20)11(19)5-8/h3-5,19-20H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017847 (3,4-Dihydroxy-5-trifluoromethyl-benzaldehyde | CHE...) Show SMILES Oc1cc(C=O)cc(c1O)C(F)(F)F Show InChI InChI=1S/C8H5F3O3/c9-8(10,11)5-1-4(3-12)2-6(13)7(5)14/h1-3,13-14H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017849 (CHEMBL169679 | N-Adamantan-1-yl-2-chloro-4,5-dihyd...) Show SMILES Oc1cc(Cl)c(cc1O)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:18:21:14.13.15,19:14:21:18.20.17,THB:17:18:13:16.21.15,17:16:13:18.20.19| Show InChI InChI=1S/C17H20ClNO3/c18-13-5-15(21)14(20)4-12(13)16(22)19-17-6-9-1-10(7-17)3-11(2-9)8-17/h4-5,9-11,20-21H,1-3,6-8H2,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017850 (1-(3,4-Dihydroxy-phenyl)-2-methyl-propan-1-one | C...) Show SMILES CC(C)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017855 (5-(3-Chloro-4,5-dihydroxy-phenyl)-pentanoic acid |...) Show SMILES OC(=O)CCCCc1cc(O)c(O)c(Cl)c1 Show InChI InChI=1S/C11H13ClO4/c12-8-5-7(6-9(13)11(8)16)3-1-2-4-10(14)15/h5-6,13,16H,1-4H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017854 (CHEMBL169208 | N-Adamantan-1-yl-2-chloro-3,4-dihyd...) Show SMILES Oc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c1O |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:13:12:9:14.16.15,13:14:9:12.17.11| Show InChI InChI=1S/C17H20ClNO3/c18-14-12(1-2-13(20)15(14)21)16(22)19-17-6-9-3-10(7-17)5-11(4-9)8-17/h1-2,9-11,20-21H,3-8H2,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50017864 (3,4-Dihydroxy-5-methanesulfonyl-benzaldehyde | CHE...) Show SMILES CS(=O)(=O)c1cc(C=O)cc(O)c1O Show InChI InChI=1S/C8H8O5S/c1-14(12,13)7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Tyrosine 3-monooxygenase (Bos taurus)	BDBM50017845 (3-(3,4-Dihydroxy-5-nitro-phenyl)-1-(3,4,5-trimetho...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H17NO8/c1-25-15-8-11(9-16(26-2)18(15)27-3)13(20)5-4-10-6-12(19(23)24)17(22)14(21)7-10/h4-9,21-22H,1-3H3/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the tyrosine hydroxylase				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Tyrosine 3-monooxygenase (Bos taurus)	BDBM50017850 (1-(3,4-Dihydroxy-phenyl)-2-methyl-propan-1-one | C...) Show SMILES CC(C)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the tyrosine hydroxylase				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50017857 (3-(3,4-Dihydroxy-5-nitro-phenyl)-1-phenyl-propenon...) Show SMILES Oc1cc(\C=C\C(=O)c2ccccc2)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C15H11NO5/c17-13(11-4-2-1-3-5-11)7-6-10-8-12(16(20)21)15(19)14(18)9-10/h1-9,18-19H/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the Monoamine oxidase B				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Tyrosine 3-monooxygenase (Bos taurus)	BDBM50017857 (3-(3,4-Dihydroxy-5-nitro-phenyl)-1-phenyl-propenon...) Show SMILES Oc1cc(\C=C\C(=O)c2ccccc2)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C15H11NO5/c17-13(11-4-2-1-3-5-11)7-6-10-8-12(16(20)21)15(19)14(18)9-10/h1-9,18-19H/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the tyrosine hydroxylase				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Mus musculus)	BDBM50017857 (3-(3,4-Dihydroxy-5-nitro-phenyl)-1-phenyl-propenon...) Show SMILES Oc1cc(\C=C\C(=O)c2ccccc2)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C15H11NO5/c17-13(11-4-2-1-3-5-11)7-6-10-8-12(16(20)21)15(19)14(18)9-10/h1-9,18-19H/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the Monoamine oxidase A				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Mus musculus)	BDBM50017845 (3-(3,4-Dihydroxy-5-nitro-phenyl)-1-(3,4,5-trimetho...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H17NO8/c1-25-15-8-11(9-16(26-2)18(15)27-3)13(20)5-4-10-6-12(19(23)24)17(22)14(21)7-10/h4-9,21-22H,1-3H3/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the Monoamine oxidase A				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Homo sapiens (Human))	BDBM50017857 (3-(3,4-Dihydroxy-5-nitro-phenyl)-1-phenyl-propenon...) Show SMILES Oc1cc(\C=C\C(=O)c2ccccc2)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C15H11NO5/c17-13(11-4-2-1-3-5-11)7-6-10-8-12(16(20)21)15(19)14(18)9-10/h1-9,18-19H/b7-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the dopamine beta hydroxylase				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase (Sus scrofa)	BDBM50017850 (1-(3,4-Dihydroxy-phenyl)-2-methyl-propan-1-one | C...) Show SMILES CC(C)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the dopamine decarboxylase				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase (Sus scrofa)	BDBM50017857 (3-(3,4-Dihydroxy-5-nitro-phenyl)-1-phenyl-propenon...) Show SMILES Oc1cc(\C=C\C(=O)c2ccccc2)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C15H11NO5/c17-13(11-4-2-1-3-5-11)7-6-10-8-12(16(20)21)15(19)14(18)9-10/h1-9,18-19H/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the dopamine decarboxylase				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50017850 (1-(3,4-Dihydroxy-phenyl)-2-methyl-propan-1-one | C...) Show SMILES CC(C)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the Monoamine oxidase B				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair

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