Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50016280   

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))	BDBM50593885 (CHEMBL5195751) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1ncco1 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593892 (CHEMBL5182310) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1ccc(cc1)C#N |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593883 (CHEMBL5193622) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nn1cccc1 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593889 (CHEMBL5199315) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1ccc(Br)c2ccccc12 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593879 (CHEMBL5188486) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Oc1cccc(c1)C#N |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593882 (CHEMBL5199584) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)On1cccn1 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593880 (CHEMBL5188118) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Oc1ccncc1 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50140241 (Allopurinol | Aloral | Aluline 100 | Aluline 300 |...) Show SMILES O=c1[nH]cnc2[nH]ncc12 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 MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593877 (CHEMBL5171292) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)SC1=NCCS1 |r,c:41,t:3,47| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593873 (CHEMBL5192231) Show SMILES [H][C@]12CC=C(COC(=O)Nc3ccc(OC)cc3)[C@@]1([H])C(OC(=O)Nc1ccc(OC)cc1)OC=C2C(=O)OC |r,c:37,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593888 (CHEMBL5172785) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)NCCC#N |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593887 (CHEMBL5184530) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1cccc2[nH]ccc12 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593895 (CHEMBL5203062) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1cncc2ccccc12 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593878 (CHEMBL5170068) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Sc1ccncc1 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593875 (CHEMBL5180638) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Sc1cccs1 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593884 (CHEMBL5185135) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nn1ncc2ccccc12 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593869 (CHEMBL5179125) Show SMILES [H][C@]12CC=C(COC(=O)Nc3ccccc3Br)[C@@]1([H])C(OC(=O)Nc1ccccc1Br)OC=C2C(=O)OC |r,c:35,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593891 (CHEMBL5177366) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1cccc(F)c1 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593881 (CHEMBL5194988) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Oc1cncc2ccccc12 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593890 (CHEMBL5204770) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1ccc(cc1)C(O)=O |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593860 (CHEMBL5174840) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(O)=O |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593893 (CHEMBL5174074) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)NCc1ccncc1 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593861 (CHEMBL5179907) Show SMILES [H][C@]12CC=C(COC(=O)CC)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(=O)CC)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]1OC(=O)CC)OC=C2C(O)=O |r,c:46,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593868 (CHEMBL5194145) Show SMILES [H][C@]12CC=C(COC(=O)NCCCCl)[C@@]1([H])C(OC(=O)NCCCCl)OC=C2C(=O)OC |r,c:27,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593862 (CHEMBL5196938) Show SMILES [H][C@]12CC=C(COC(=O)CCC)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC)OC=C2C(O)=O |r,c:51,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593865 (CHEMBL5209439) Show SMILES [H][C@]12CC=C(COC(=O)NCC)[C@@]1([H])C(OC(=O)NCC)OC=C2C(=O)OC |r,c:23,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50478834 (CHEBI:5301 | Geniposidic Acid) Show SMILES [H][C@]12CC=C(CO)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O |r,c:26,t:3| Show InChI InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593894 (CHEMBL5196516) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1nn[nH]n1 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593863 (CHEMBL5195680) Show SMILES [H][C@]12CC=C(COC(=O)CC(C)C)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C)OC=C2C(O)=O |r,c:56,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593896 (CHEMBL5205775) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1ccc(cc1)C(=O)NCC(O)=O |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593871 (CHEMBL5203165) Show SMILES [H][C@]12CC=C(COC(=O)Nc3ccc(C)cc3)[C@@]1([H])C(OC(=O)Nc1ccc(C)cc1)OC=C2C(=O)OC |r,c:35,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593886 (CHEMBL5194782) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1ccccc1-c1ccccc1 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593866 (CHEMBL5171497) Show SMILES [H][C@]12CC=C(COC(=O)NC(C)C)[C@@]1([H])C(OC(=O)NC(C)C)OC=C2C(=O)OC |r,c:25,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593876 (CHEMBL5182884) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Sc1ncc[nH]1 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593864 (CHEMBL5173322) Show SMILES [H][C@]12CC=C(COC(=O)C(C)(C)C)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)OC=C2C(O)=O |r,c:56,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593859 (CHEMBL5182322) Show SMILES [H][C@]12CC=C(CO)[C@@]1([H])C(O)OC=C2C(=O)OC |r,c:13,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593867 (CHEMBL5183343) Show SMILES [H][C@]12CC=C(COC(=O)NC(C)(C)C)[C@@]1([H])C(OC(=O)NC(C)(C)C)OC=C2C(=O)OC |r,c:27,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593872 (CHEMBL5207972) Show SMILES [H][C@]12CC=C(COC(=O)Nc3cccc(C)c3)[C@@]1([H])C(OC(=O)Nc1cccc(C)c1)OC=C2C(=O)OC |r,c:35,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50478840 (CHEBI:5299 | Geniposide) Show SMILES [H][C@]12CC=C(CO)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |r,c:26,t:3| Show InChI InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593858 (CHEMBL5190315) Show SMILES [H][C@]12CC3OC3(CO)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |r,c:28| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593874 (CHEMBL5205354) Show SMILES [H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)SCc1ccccc1 |r,c:41,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.81E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50593870 (CHEMBL5190449) Show SMILES [H][C@]12CC=C(COC(=O)NC3CCCCC3)[C@@]1([H])C(OC(=O)NC1CCCCC1)OC=C2C(=O)OC |r,c:33,t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.81E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114379 BindingDB Entry DOI: 10.7270/Q21V5JZM
					More data for this Ligand-Target Pair