Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50042316   

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 (Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50423923 (CHEMBL2313040) Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1SCc1ccccc1 |c:12| Show InChI InChI=1S/C31H26Cl2N4S3/c1-36(2)24-14-10-22(11-15-24)28-17-26(25-16-29(33)40-30(25)38-18-20-6-4-3-5-7-20)35-37(28)31-34-27(19-39-31)21-8-12-23(32)13-9-21/h3-16,19,28H,17-18H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50423922 (CHEMBL2313041) Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1S(N)(=O)=O |c:12| Show InChI InChI=1S/C24H21Cl2N5O2S3/c1-30(2)17-9-5-15(6-10-17)21-12-19(18-11-22(26)35-23(18)36(27,32)33)29-31(21)24-28-20(13-34-24)14-3-7-16(25)8-4-14/h3-11,13,21H,12H2,1-2H3,(H2,27,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50423924 (CHEMBL2313039) Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1Cl |c:12| Show InChI InChI=1S/C24H19Cl3N4S2/c1-30(2)17-9-5-15(6-10-17)21-12-19(18-11-22(26)33-23(18)27)29-31(21)24-28-20(13-32-24)14-3-7-16(25)8-4-14/h3-11,13,21H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50423932 (CHEMBL2313031) Show SMILES CCCCc1nc(Cl)c([nH]1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1SCc1ccccc1 |c:13| Show InChI InChI=1S/C30H26Cl3N5S3/c1-2-3-9-26-35-27(28(33)36-26)24-15-22(21-14-25(32)41-29(21)39-16-18-7-5-4-6-8-18)37-38(24)30-34-23(17-40-30)19-10-12-20(31)13-11-19/h4-8,10-14,17,24H,2-3,9,15-16H2,1H3,(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50423931 (CHEMBL2313032) Show SMILES CCCCc1nc(Cl)c([nH]1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1S(N)(=O)=O |c:13| Show InChI InChI=1S/C23H21Cl3N6O2S3/c1-2-3-4-19-29-20(21(26)30-19)17-10-15(14-9-18(25)36-22(14)37(27,33)34)31-32(17)23-28-16(11-35-23)12-5-7-13(24)8-6-12/h5-9,11,17H,2-4,10H2,1H3,(H,29,30)(H2,27,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50423933 (CHEMBL2313030) Show SMILES CCCCc1nc(Cl)c([nH]1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1Cl |c:13| Show InChI InChI=1S/C23H19Cl4N5S2/c1-2-3-4-19-29-20(21(26)30-19)17-10-15(14-9-18(25)34-22(14)27)31-32(17)23-28-16(11-33-23)12-5-7-13(24)8-6-12/h5-9,11,17H,2-4,10H2,1H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50423929 (CHEMBL2313034) Show SMILES Clc1cc(C2=NN(C(C2)c2ccc(Cl)cc2)c2nc(cs2)-c2ccc(Cl)cc2)c(SCc2ccccc2)s1 |t:4| Show InChI InChI=1S/C29H20Cl3N3S3/c30-21-10-6-19(7-11-21)25-17-37-29(33-25)35-26(20-8-12-22(31)13-9-20)15-24(34-35)23-14-27(32)38-28(23)36-16-18-4-2-1-3-5-18/h1-14,17,26H,15-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50423928 (CHEMBL2313035) Show SMILES NS(=O)(=O)c1sc(Cl)cc1C1=NN(C(C1)c1ccc(Cl)cc1)c1nc(cs1)-c1ccc(Cl)cc1 |t:11| Show InChI InChI=1S/C22H15Cl3N4O2S3/c23-14-5-1-12(2-6-14)18-11-32-22(27-18)29-19(13-3-7-15(24)8-4-13)10-17(28-29)16-9-20(25)33-21(16)34(26,30)31/h1-9,11,19H,10H2,(H2,26,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50423930 (CHEMBL2313033) Show SMILES Clc1cc(C2=NN(C(C2)c2ccc(Cl)cc2)c2nc(cs2)-c2ccc(Cl)cc2)c(Cl)s1 |t:4| Show InChI InChI=1S/C22H13Cl4N3S2/c23-14-5-1-12(2-6-14)18-11-30-22(27-18)29-19(13-3-7-15(24)8-4-13)10-17(28-29)16-9-20(25)31-21(16)26/h1-9,11,19H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50423926 (CHEMBL2313037) Show SMILES Fc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1SCc1ccccc1 |c:10| Show InChI InChI=1S/C29H20Cl2FN3S3/c30-21-10-6-19(7-11-21)25-17-37-29(33-25)35-26(20-8-12-22(32)13-9-20)15-24(34-35)23-14-27(31)38-28(23)36-16-18-4-2-1-3-5-18/h1-14,17,26H,15-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50423925 (CHEMBL2313038) Show SMILES NS(=O)(=O)c1sc(Cl)cc1C1=NN(C(C1)c1ccc(F)cc1)c1nc(cs1)-c1ccc(Cl)cc1 |t:11| Show InChI InChI=1S/C22H15Cl2FN4O2S3/c23-14-5-1-12(2-6-14)18-11-32-22(27-18)29-19(13-3-7-15(25)8-4-13)10-17(28-29)16-9-20(24)33-21(16)34(26,30)31/h1-9,11,19H,10H2,(H2,26,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50423927 (CHEMBL2313036) Show SMILES Fc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1Cl |c:10| Show InChI InChI=1S/C22H13Cl3FN3S2/c23-14-5-1-12(2-6-14)18-11-30-22(27-18)29-19(13-3-7-15(26)8-4-13)10-17(28-29)16-9-20(24)31-21(16)25/h1-9,11,19H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swami Ramanand Teerth Marathwada University Curated by ChEMBL					Assay Description Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by...				Bioorg Med Chem 21: 365-72 (2012) Article DOI: 10.1016/j.bmc.2012.09.060 BindingDB Entry DOI: 10.7270/Q2RV0Q0R
					More data for this Ligand-Target Pair