Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a'   

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
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112632 (Euonyquinone A (5)) Show SMILES COC1=CC(=O)C(CC(=O)Cc2ccc(O)c(OC)c2)=C(C1=O)c1cc(CCCc2ccc(O)c(OC)c2)c(OC)cc1O |c:20,t:2| Show InChI InChI=1S/C34H34O10/c1-41-29-17-27(38)23(15-21(29)7-5-6-19-8-10-25(36)30(13-19)42-2)33-24(28(39)18-32(44-4)34(33)40)16-22(35)12-20-9-11-26(37)31(14-20)43-3/h8-11,13-15,17-18,36-38H,5-7,12,16H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112633 (Combrequinone B (6)) Show SMILES COc1cc(CCCc2cc(C(=CCc3ccc(O)c(OC)c3)c3cc(O)c(OC)cc3O)c(OC)cc2O)ccc1O |w:12.12| Show InChI InChI=1S/C34H36O9/c1-40-31-18-28(37)22(7-5-6-20-9-12-26(35)32(14-20)41-2)16-25(31)23(24-17-30(39)34(43-4)19-29(24)38)11-8-21-10-13-27(36)33(15-21)42-3/h9-19,35-39H,5-8H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112634 (Euonyquinone B (7)) Show SMILES COc1cc(CC=C(c2cc(O)c(OC)cc2O)c2c(OC)cc3OC(CCc3c2O)c2ccc(O)c(OC)c2)ccc1O |w:6.5| Show InChI InChI=1S/C34H34O10/c1-40-29-13-18(6-10-23(29)35)5-8-20(22-15-26(38)31(42-3)16-25(22)37)33-32(43-4)17-28-21(34(33)39)9-12-27(44-28)19-7-11-24(36)30(14-19)41-2/h6-8,10-11,13-17,27,35-39H,5,9,12H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112629 (Euonydiarylpropane B (2)) Show SMILES COc1cc(CCCc2cc(C(CCc3ccc(O)c(OC)c3)c3cc(OC)c(OC)cc3O)c(O)cc2OC)ccc1O Show InChI InChI=1S/C35H40O9/c1-40-31-19-29(38)25(17-23(31)8-6-7-21-10-13-27(36)32(15-21)41-2)24(12-9-22-11-14-28(37)33(16-22)42-3)26-18-34(43-4)35(44-5)20-30(26)39/h10-11,13-20,24,36-39H,6-9,12H2,1-5H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112628 (Euonydiarylpropane A (1)) Show SMILES COc1cc(CCCc2cc(C(CCc3ccc(O)c(OC)c3)c3cc(OC)c(OC)cc3O)c(OC)cc2O)ccc1O Show InChI InChI=1S/C35H40O9/c1-40-31-19-29(38)23(8-6-7-21-10-13-27(36)32(15-21)41-2)17-26(31)24(12-9-22-11-14-28(37)33(16-22)42-3)25-18-34(43-4)35(44-5)20-30(25)39/h10-11,13-20,24,36-39H,6-9,12H2,1-5H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112635 ((−)-Euonyquinone C (8) | (+)-Euonyquinone C ...) Show SMILES COc1cc(CC=C(c2cc(O)c(OC)cc2O)c2c(OC)cc3OC(CCc3c2O)c2ccc(O)c(O)c2)ccc1O |w:6.5| Show InChI InChI=1S/C33H32O10/c1-40-29-12-17(5-9-23(29)35)4-7-19(21-14-26(38)30(41-2)15-24(21)36)32-31(42-3)16-28-20(33(32)39)8-11-27(43-28)18-6-10-22(34)25(37)13-18/h5-7,9-10,12-16,27,34-39H,4,8,11H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112635 ((−)-Euonyquinone C (8) | (+)-Euonyquinone C ...) Show SMILES COc1cc(CC=C(c2cc(O)c(OC)cc2O)c2c(OC)cc3OC(CCc3c2O)c2ccc(O)c(O)c2)ccc1O |w:6.5| Show InChI InChI=1S/C33H32O10/c1-40-29-12-17(5-9-23(29)35)4-7-19(21-14-26(38)30(41-2)15-24(21)36)32-31(42-3)16-28-20(33(32)39)8-11-27(43-28)18-6-10-22(34)25(37)13-18/h5-7,9-10,12-16,27,34-39H,4,8,11H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112639 (1-(2-hydroxy-4-meth-oxyphenyl)-3-(4-hydroxy-3-meth...) Show SMILES COc1ccc(CCCc2ccc(O)c(OC)c2)c(O)c1 Show InChI InChI=1S/C17H20O4/c1-20-14-8-7-13(16(19)11-14)5-3-4-12-6-9-15(18)17(10-12)21-2/h6-11,18-19H,3-5H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112637 (Griffithane B (10)) Show SMILES COc1cc(CCCc2ccc(O)cc2OC)ccc1O Show InChI InChI=1S/C17H20O4/c1-20-16-11-14(18)8-7-13(16)5-3-4-12-6-9-15(19)17(10-12)21-2/h6-11,18-19H,3-5H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112638 (Broussonin F (11)) Show SMILES COc1cc(CCCc2ccc(OC)c(O)c2OC)ccc1O Show InChI InChI=1S/C18H22O5/c1-21-15-10-8-13(18(23-3)17(15)20)6-4-5-12-7-9-14(19)16(11-12)22-2/h7-11,19-20H,4-6H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112640 ((2R)-3′,4′-Dihydroxy-7-methoxyflavan (...) Show SMILES COc1ccc2CC[C@@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C16H16O4/c1-19-12-5-2-10-4-7-15(20-16(10)9-12)11-3-6-13(17)14(18)8-11/h2-3,5-6,8-9,15,17-18H,4,7H2,1H3/t15-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112641 ((2R)-3′,4′-Dihydroxy-5,7-methoxyflavan...) Show SMILES COc1cc(OC)c2CC[C@@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H18O5/c1-20-11-8-16(21-2)12-4-6-15(22-17(12)9-11)10-3-5-13(18)14(19)7-10/h3,5,7-9,15,18-19H,4,6H2,1-2H3/t15-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112630 (Euonydiarylpropane C (3)) Show SMILES COc1ccc(C(CCc2ccc(O)c(OC)c2)c2cc(CCCc3ccc(O)c(OC)c3)c(O)cc2OC)c(O)c1 Show InChI InChI=1S/C34H38O8/c1-39-24-11-13-26(31(38)19-24)25(12-8-22-10-15-29(36)34(17-22)42-4)27-18-23(30(37)20-32(27)40-2)7-5-6-21-9-14-28(35)33(16-21)41-3/h9-11,13-20,25,35-38H,5-8,12H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM112631 (Euonydiarylpropane D (4)) Show SMILES COc1cc(CCCc2cc(C(CCc3ccc(O)c(OC)c3)c3cc(O)c(OC)cc3OC)c(O)cc2OC)ccc1O Show InChI InChI=1S/C35H40O9/c1-40-31-19-29(38)25(17-23(31)8-6-7-21-10-13-27(36)33(15-21)42-3)24(12-9-22-11-14-28(37)34(16-22)43-4)26-18-30(39)35(44-5)20-32(26)41-2/h10-11,13-20,24,36-39H,6-9,12H2,1-5H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
Dopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a (Homo sapiens (Human))	BDBM48449 (3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...) Show SMILES C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O Show InChI InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair