Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 6056   

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 (Bos taurus (Bovine))	BDBM106768 (2‐(3‐methylphenyl)‐1‐[(3&#...) Show SMILES Cc1cccc(Cn2c(nc3ccccc23)-c2cccc(C)c2)c1 Show InChI InChI=1S/C22H20N2/c1-16-7-5-9-18(13-16)15-24-21-12-4-3-11-20(21)23-22(24)19-10-6-8-17(2)14-19/h3-14H,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM106762 (2‐(2‐chlorophenyl)‐1‐[(2&#...) Show SMILES Clc1ccccc1Cn1c(nc2ccccc12)-c1ccccc1Cl Show InChI InChI=1S/C20H14Cl2N2/c21-16-9-3-1-7-14(16)13-24-19-12-6-5-11-18(19)23-20(24)15-8-2-4-10-17(15)22/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM106765 (4‐{1‐[(4‐hydroxyphenyl)methyl]&#...) Show SMILES Oc1ccc(Cn2c(nc3ccccc23)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C20H16N2O2/c23-16-9-5-14(6-10-16)13-22-19-4-2-1-3-18(19)21-20(22)15-7-11-17(24)12-8-15/h1-12,23-24H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM106772 (2‐(3‐methoxyphenyl)‐1‐[(3&...) Show SMILES COc1cccc(Cn2c(nc3ccccc23)-c2cccc(OC)c2)c1 Show InChI InChI=1S/C22H20N2O2/c1-25-18-9-5-7-16(13-18)15-24-21-12-4-3-11-20(21)23-22(24)17-8-6-10-19(14-17)26-2/h3-14H,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM106770 (1‐{1‐[(1‐hydroxynaphthalen‐...) Show SMILES Oc1ccc2ccccc2c1-c1nc2ccccc2n1Cc1ccc2ccccc2c1O |(-7.35,4.21,;-6.58,5.54,;-5.04,5.54,;-4.27,6.87,;-5.04,8.21,;-4.27,9.54,;-5.04,10.88,;-6.58,10.88,;-7.35,9.54,;-6.58,8.21,;-7.35,6.87,;-8.89,6.87,;-9.8,8.12,;-11.26,7.64,;-12.59,8.42,;-13.93,7.64,;-13.93,6.1,;-12.59,5.33,;-11.26,6.1,;-9.8,5.63,;-9.8,4.09,;-11.18,3.3,;-12.51,4.08,;-13.85,3.31,;-13.85,1.77,;-15.19,1.01,;-15.2,-.53,;-13.87,-1.31,;-12.53,-.54,;-12.52,1,;-11.19,1.76,;-9.86,.98,)| Show InChI InChI=1S/C28H20N2O2/c31-25-16-15-18-7-1-3-9-21(18)26(25)28-29-23-11-5-6-12-24(23)30(28)17-20-14-13-19-8-2-4-10-22(19)27(20)32/h1-16,31-32H,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	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	5.50E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM106763 (2‐(2‐methylphenyl)‐1‐[(2&#...) Show SMILES Cc1ccccc1Cn1c(nc2ccccc12)-c1ccccc1C Show InChI InChI=1S/C22H20N2/c1-16-9-3-5-11-18(16)15-24-21-14-8-7-13-20(21)23-22(24)19-12-6-4-10-17(19)2/h3-14H,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM106766 (3‐{1‐[(3‐hydroxyphenyl)methyl]&#...) Show SMILES Oc1cccc(Cn2c(nc3ccccc23)-c2cccc(O)c2)c1 Show InChI InChI=1S/C20H16N2O2/c23-16-7-3-5-14(11-16)13-22-19-10-2-1-9-18(19)21-20(22)15-6-4-8-17(24)12-15/h1-12,23-24H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM106761 (2‐(4‐chlorophenyl)‐1‐[(4&#...) Show SMILES Clc1ccc(Cn2c(nc3ccccc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H14Cl2N2/c21-16-9-5-14(6-10-16)13-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM106771 (2‐(pyridin‐3‐yl)‐1‐(...) Show SMILES C(c1cccnc1)n1c(nc2ccccc12)-c1cccnc1 Show InChI InChI=1S/C18H14N4/c1-2-8-17-16(7-1)21-18(15-6-4-10-20-12-15)22(17)13-14-5-3-9-19-11-14/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM106764 (2‐(4‐methylphenyl)‐1‐[(4&#...) Show SMILES Cc1ccc(Cn2c(nc3ccccc23)-c2ccc(C)cc2)cc1 Show InChI InChI=1S/C22H20N2/c1-16-7-11-18(12-8-16)15-24-21-6-4-3-5-20(21)23-22(24)19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM106767 (2‐(3‐chlorophenyl)‐1‐[(3&#...) Show SMILES Clc1cccc(Cn2c(nc3ccccc23)-c2cccc(Cl)c2)c1 Show InChI InChI=1S/C20H14Cl2N2/c21-16-7-3-5-14(11-16)13-24-19-10-2-1-9-18(19)23-20(24)15-6-4-8-17(22)12-15/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM106773 (2‐(4‐methoxyphenyl)‐1‐[(4&...) Show SMILES COc1ccc(Cn2c(nc3ccccc23)-c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C22H20N2O2/c1-25-18-11-7-16(8-12-18)15-24-21-6-4-3-5-20(21)23-22(24)17-9-13-19(26-2)14-10-17/h3-14H,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM61780 ((6E)-6-(3-salicyl-1H-benzimidazol-2-ylidene)cycloh...) Show SMILES Oc1ccccc1Cn1c(nc2ccccc12)-c1ccccc1O Show InChI InChI=1S/C20H16N2O2/c23-18-11-5-1-7-14(18)13-22-17-10-4-3-9-16(17)21-20(22)15-8-2-6-12-19(15)24/h1-12,23-24H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM106769 (1‐benzyl‐2‐phenyl‐1,3̴...) Show SMILES C(c1ccccc1)n1c(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C20H16N2/c1-3-9-16(10-4-1)15-22-19-14-8-7-13-18(19)21-20(22)17-11-5-2-6-12-17/h1-14H,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	7.6	25
Konkuk University					Assay Description Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...				Chem Biol Drug Des 82: 290-5 (2013) Article DOI: 10.1111/cbdd.12141 BindingDB Entry DOI: 10.7270/Q2TM78SJ
					More data for this Ligand-Target Pair