Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50019920   

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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM35440 (ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...) Show SMILES O=c1[nH]cnc2n[nH]cc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50208873 (2-chloro-6(methylamino)purine | CHEMBL446449) Show SMILES CNc1nc(Cl)nc2nc[nH]c12 Show InChI InChI=1S/C6H6ClN5/c1-8-4-3-5(10-2-9-3)12-6(7)11-4/h2H,1H3,(H2,8,9,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM33218 (Adenine, 1 | CHEMBL226345 | purine, 6) Show SMILES Nc1ncnc2nc[nH]c12 Show InChI InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50208876 (1H-Pyrazolo[3,4-d]pyrimidin-4-ylamine | 4-aminopyr...) Show SMILES Nc1ncnc2n[nH]cc12 Show InChI InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50208881 (5-Nitro-1H-benzoimidazole | 5-nitrobenzimidazole |...) Show SMILES [O-][N+](=O)c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50200099 (2-Amino-1,7-dihydro-purine-6-thione | 2-Amino-1,9-...) Show SMILES Nc1nc2nc[nH]c2c(=S)[nH]1 Show InChI InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM82020 (1-Methyl-3,9-dihydro-purine-2,6-dione(1-methyl xan...) Show SMILES Cn1c(=O)[nH]c2nc[nH]c2c1=O Show InChI InChI=1S/C6H4N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50208879 (2,6-diaminopurine | 9H-Purine-2,6-diamine0.5M H2SO...) Show SMILES Nc1nc(N)c2[nH]cnc2n1 Show InChI InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50208880 (5-methyl-1H-benzimidazole | CHEMBL157729) Show SMILES Cc1ccc2nc[nH]c2c1 Show InChI InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50208877 (2-amino-6-chloropurine | 6-Cl-purine (1) | 6-chlor...) Show SMILES Nc1nc(Cl)c2[nH]cnc2n1 Show InChI InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50208875 (2-aminopurine | 9H-Purin-2-ylamine | 9H-purin-2-am...) Show SMILES Nc1ncc2[nH]cnc2n1 Show InChI InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50208872 (5,6-dimethyl-1H-benzimidazole | 5,6-dimethylbenzim...) Show SMILES Cc1cc2nc[nH]c2cc1C Show InChI InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM5470 (6-methoxy-9H-purin-2-amine | CHEMBL226395 | O6-Sub...) Show SMILES COc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry and the Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				Bioorg Med Chem 15: 3450-6 (2007) Article DOI: 10.1016/j.bmc.2007.03.010 BindingDB Entry DOI: 10.7270/Q2WD407G
					More data for this Ligand-Target Pair