Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50026060   

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
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31147 (4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...) Show SMILES OC(=O)c1cc2occc2[nH]1 Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260722 (4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...) Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1 Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260727 (6H-thieno[2,3-b]pyrrole-5-carboxylic acid | CHEMBL...) Show SMILES OC(=O)c1cc2ccsc2[nH]1 Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-4-1-2-11-6(4)8-5/h1-3,8H,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260721 (4,5-dichlorofuran-2-carboxylic acid | CHEMBL511101) Show SMILES OC(=O)c1cc(Cl)c(Cl)o1 Show InChI InChI=1S/C5H2Cl2O3/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	343	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM23174 (6-chloro-1,2-benzoxazol-3-ol | 6-chlorobenzo[d]iso...) Show SMILES Clc1ccc2c(c1)o[nH]c2=O Show InChI InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	507	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260726 (4H-pyrrolo[2,3-d]thiazole-5-carboxylic acid | CHEM...) Show SMILES OC(=O)c1cc2scnc2[nH]1 Show InChI InChI=1S/C6H4N2O2S/c9-6(10)3-1-4-5(8-3)7-2-11-4/h1-2,8H,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	516	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50004955 (1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	745	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260773 (3-cyano-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ...) Show SMILES OC(=O)c1cc2scc(C#N)c2[nH]1 Show InChI InChI=1S/C8H4N2O2S/c9-2-4-3-13-6-1-5(8(11)12)10-7(4)6/h1,3,10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260730 (3-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid |...) Show SMILES OC(=O)c1cc2occ(Cl)c2[nH]1 Show InChI InChI=1S/C7H4ClNO3/c8-3-2-12-5-1-4(7(10)11)9-6(3)5/h1-2,9H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260728 (4H-pyrrolo[3,2-d]thiazole-5-carboxylic acid | CHEM...) Show SMILES OC(=O)c1cc2ncsc2[nH]1 Show InChI InChI=1S/C6H4N2O2S/c9-6(10)4-1-3-5(8-4)11-2-7-3/h1-2,8H,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260771 (2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic ac...) Show SMILES Cc1oc2cc([nH]c2c1C)C(O)=O Show InChI InChI=1S/C9H9NO3/c1-4-5(2)13-7-3-6(9(11)12)10-8(4)7/h3,10H,1-2H3,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260770 (3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxyl...) Show SMILES OCc1coc2cc([nH]c12)C(O)=O Show InChI InChI=1S/C8H7NO4/c10-2-4-3-13-6-1-5(8(11)12)9-7(4)6/h1,3,9-10H,2H2,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260769 (2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid |...) Show SMILES OC(=O)c1cc2oc(Cl)cc2[nH]1 Show InChI InChI=1S/C7H4ClNO3/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260729 (1,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic aci...) Show SMILES OC(=O)c1cc2n[nH]cc2[nH]1 Show InChI InChI=1S/C6H5N3O2/c10-6(11)4-1-3-5(8-4)2-7-9-3/h1-2,8H,(H,7,9)(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260724 (4H-pyrrolo[2,3-d]oxazole-5-carboxylic acid | CHEMB...) Show SMILES OC(=O)c1cc2ocnc2[nH]1 Show InChI InChI=1S/C6H4N2O3/c9-6(10)3-1-4-5(8-3)7-2-11-4/h1-2,8H,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260772 (2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylic acid...) Show SMILES OC(=O)c1cc2sc(Cl)cc2[nH]1 Show InChI InChI=1S/C7H4ClNO2S/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260777 (2-(2,4-dichlorophenyl)-4H-furo[3,2-b]pyrrole-5-car...) Show SMILES OC(=O)c1cc2oc(cc2[nH]1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C13H7Cl2NO3/c14-6-1-2-7(8(15)3-6)11-4-9-12(19-11)5-10(16-9)13(17)18/h1-5,16H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260807 (3-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxy...) Show SMILES OC(=O)c1cc2occ(-c3ccc(Cl)cc3)c2[nH]1 Show InChI InChI=1S/C13H8ClNO3/c14-8-3-1-7(2-4-8)9-6-18-11-5-10(13(16)17)15-12(9)11/h1-6,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260808 (3-(3-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxy...) Show SMILES OC(=O)c1cc2occ(-c3cccc(Cl)c3)c2[nH]1 Show InChI InChI=1S/C13H8ClNO3/c14-8-3-1-2-7(4-8)9-6-18-11-5-10(13(16)17)15-12(9)11/h1-6,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260809 (3-(pyridin-3-yl)-4H-furo[3,2-b]pyrrole-5-carboxyli...) Show SMILES OC(=O)c1cc2occ(-c3cccnc3)c2[nH]1 Show InChI InChI=1S/C12H8N2O3/c15-12(16)9-4-10-11(14-9)8(6-17-10)7-2-1-3-13-5-7/h1-6,14H,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260723 (1H-pyrrole-2-carboxylic acid | 2-pyrrolecarboxylic...) Show SMILES OC(=O)c1ccc[nH]1 Show InChI InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-aspartate oxidase (Homo sapiens (Human))	BDBM50260721 (4,5-dichlorofuran-2-carboxylic acid | CHEMBL511101) Show SMILES OC(=O)c1cc(Cl)c(Cl)o1 Show InChI InChI=1S/C5H2Cl2O3/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DDO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-aspartate oxidase (Homo sapiens (Human))	BDBM50004955 (1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DDO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-aspartate oxidase (Homo sapiens (Human))	BDBM23174 (6-chloro-1,2-benzoxazol-3-ol | 6-chlorobenzo[d]iso...) Show SMILES Clc1ccc2c(c1)o[nH]c2=O Show InChI InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DDO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-aspartate oxidase (Homo sapiens (Human))	BDBM50260722 (4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...) Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1 Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DDO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260774 (2-phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid |...) Show SMILES OC(=O)c1cc2oc(cc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C13H9NO3/c15-13(16)10-7-12-9(14-10)6-11(17-12)8-4-2-1-3-5-8/h1-7,14H,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (docked)
D-aspartate oxidase (Homo sapiens (Human))	BDBM31147 (4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...) Show SMILES OC(=O)c1cc2occc2[nH]1 Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DDO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260775 (2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxy...) Show SMILES OC(=O)c1cc2oc(cc2[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C13H8ClNO3/c14-8-3-1-7(2-4-8)11-5-9-12(18-11)6-10(15-9)13(16)17/h1-6,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260776 (2-(3-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxy...) Show SMILES OC(=O)c1cc2oc(cc2[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C13H8ClNO3/c14-8-3-1-2-7(4-8)11-5-9-12(18-11)6-10(15-9)13(16)17/h1-6,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (docked)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM31147 (4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...) Show SMILES OC(=O)c1cc2occc2[nH]1 Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM31147 (4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...) Show SMILES OC(=O)c1cc2occc2[nH]1 Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair