Compile Data Set for Download or QSAR

Found 489 hits with Last Name = 'anderluh' and Initial = 'm'   

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))	BDBM50320491 (2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Non-competitive inhibition of human xanthine oxidase				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50329778 ((-)-(R,R)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2...) Show SMILES O[C@@H]1Cc2cccc(F)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membranes after 120 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50329778 ((-)-(R,R)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2...) Show SMILES O[C@@H]1Cc2cccc(F)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50267750 (CHEMBL1078685) Show SMILES N#Cc1cc(ccn1)-c1n[nH]c(n1)-c1ccncc1 Show InChI InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Competitive inhibition of bovine milk xanthine oxidoreductase assessed as reduction in uric acid formation by spectrophotometric assay				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50329777 ((+)-(S,S)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2...) Show SMILES O[C@H]1Cc2cccc(F)c2C[C@@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50329776 ((rac)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2,3,4...) Show SMILES OC1Cc2cccc(F)c2CC1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50329776 ((rac)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2,3,4...) Show SMILES OC1Cc2cccc(F)c2CC1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membranes after 120 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50329775 ((2R,3R)-5-Iodo-3-(4-phenyl-piperidin-1-yl)-1,2,3,4...) Show SMILES O[C@@H]1Cc2cccc(I)c2C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H24INO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50329773 ((-)-(2R,3R)-5-(2-fluoroethoxy)-3-(4-phenylpiperidi...) Show SMILES O[C@@H]1Cc2cccc(OCCF)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H28FNO2/c24-11-14-27-23-8-4-7-19-15-22(26)21(16-20(19)23)25-12-9-18(10-13-25)17-5-2-1-3-6-17/h1-8,18,21-22,26H,9-16H2/t21-,22-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50329777 ((+)-(S,S)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2...) Show SMILES O[C@H]1Cc2cccc(F)c2C[C@@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membranes after 120 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50018079 (5-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,4-tetrah...) Show SMILES Nc1cccc2CC(O)C(Cc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H26N2O/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50329774 ((+)-(2S,3S)-5-(2-fluoroethoxy)-3-(4-phenylpiperidi...) Show SMILES O[C@H]1Cc2cccc(OCCF)c2C[C@@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H28FNO2/c24-11-14-27-23-8-4-7-19-15-22(26)21(16-20(19)23)25-12-9-18(10-13-25)17-5-2-1-3-6-17/h1-8,18,21-22,26H,9-16H2/t21-,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50165956 ((S)-2-{2-[4-(4-Carbamimidoyl-benzyl)-3-oxo-3,4-dih...) Show SMILES NC(=N)c1ccc(CN2C(=O)COc3cc(NC(=O)C(Cc4ccccc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc23)cc1 Show InChI InChI=1S/C31H31N5O8/c32-28(33)20-8-6-19(7-9-20)16-36-24-12-10-21(15-25(24)44-17-26(36)37)34-29(40)22(14-18-4-2-1-3-5-18)30(41)35-23(31(42)43)11-13-27(38)39/h1-10,12,15,22-23H,11,13-14,16-17H2,(H3,32,33)(H,34,40)(H,35,41)(H,38,39)(H,42,43)/t22?,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	206	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				J Med Chem 48: 3110-3 (2005) Article DOI: 10.1021/jm048984g BindingDB Entry DOI: 10.7270/Q2K0752H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50329773 ((-)-(2R,3R)-5-(2-fluoroethoxy)-3-(4-phenylpiperidi...) Show SMILES O[C@@H]1Cc2cccc(OCCF)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H28FNO2/c24-11-14-27-23-8-4-7-19-15-22(26)21(16-20(19)23)25-12-9-18(10-13-25)17-5-2-1-3-6-17/h1-8,18,21-22,26H,9-16H2/t21-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membranes after 120 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50329775 ((2R,3R)-5-Iodo-3-(4-phenyl-piperidin-1-yl)-1,2,3,4...) Show SMILES O[C@@H]1Cc2cccc(I)c2C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H24INO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	266	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membranes after 120 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50329774 ((+)-(2S,3S)-5-(2-fluoroethoxy)-3-(4-phenylpiperidi...) Show SMILES O[C@H]1Cc2cccc(OCCF)c2C[C@@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H28FNO2/c24-11-14-27-23-8-4-7-19-15-22(26)21(16-20(19)23)25-12-9-18(10-13-25)17-5-2-1-3-6-17/h1-8,18,21-22,26H,9-16H2/t21-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membranes after 120 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50018079 (5-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,4-tetrah...) Show SMILES Nc1cccc2CC(O)C(Cc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H26N2O/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	652	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membranes after 120 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50165952 (2-Benzyl-N-[4-(4-carbamimidoyl-benzyl)-3-oxo-3,4-d...) Show SMILES COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(Cc3ccc(cc3)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C27H26N4O5/c1-35-27(34)21(13-17-5-3-2-4-6-17)26(33)30-20-11-12-22-23(14-20)36-16-24(32)31(22)15-18-7-9-19(10-8-18)25(28)29/h2-12,14,21H,13,15-16H2,1H3,(H3,28,29)(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	973	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				J Med Chem 48: 3110-3 (2005) Article DOI: 10.1021/jm048984g BindingDB Entry DOI: 10.7270/Q2K0752H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50165953 ((S)-3-{[2-(4-Carbamimidoyl-benzyloxy)-4-methyl-3-o...) Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)N[C@@H](CC(O)=O)c1ccccc1 Show InChI InChI=1S/C27H26N4O6/c1-31-21-12-11-19(25(34)30-20(14-23(32)33)17-5-3-2-4-6-17)13-22(21)37-27(26(31)35)36-15-16-7-9-18(10-8-16)24(28)29/h2-13,20,27H,14-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33)/t20-,27?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				J Med Chem 48: 3110-3 (2005) Article DOI: 10.1021/jm048984g BindingDB Entry DOI: 10.7270/Q2K0752H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50165955 ((S)-2-{2-[4-(4-Carbamimidoyl-benzyl)-3-oxo-3,4-dih...) Show SMILES CCOC(=O)CC[C@H](NC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(Cc3ccc(cc3)C(N)=N)C(=O)COc2c1)C(=O)OCC Show InChI InChI=1S/C35H39N5O8/c1-3-46-31(42)17-15-27(35(45)47-4-2)39-34(44)26(18-22-8-6-5-7-9-22)33(43)38-25-14-16-28-29(19-25)48-21-30(41)40(28)20-23-10-12-24(13-11-23)32(36)37/h5-14,16,19,26-27H,3-4,15,17-18,20-21H2,1-2H3,(H3,36,37)(H,38,43)(H,39,44)/t26?,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				J Med Chem 48: 3110-3 (2005) Article DOI: 10.1021/jm048984g BindingDB Entry DOI: 10.7270/Q2K0752H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50165957 (2-Benzyl-N-[4-(4-carbamimidoyl-benzyl)-3-oxo-3,4-d...) Show SMILES NC(=N)c1ccc(CN2C(=O)COc3cc(NC(=O)C(Cc4ccccc4)C(O)=O)ccc23)cc1 Show InChI InChI=1S/C26H24N4O5/c27-24(28)18-8-6-17(7-9-18)14-30-21-11-10-19(13-22(21)35-15-23(30)31)29-25(32)20(26(33)34)12-16-4-2-1-3-5-16/h1-11,13,20H,12,14-15H2,(H3,27,28)(H,29,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				J Med Chem 48: 3110-3 (2005) Article DOI: 10.1021/jm048984g BindingDB Entry DOI: 10.7270/Q2K0752H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50165954 ((S)-2-{(S)-2-[4-(4-Carbamimidoyl-benzyl)-3-oxo-3,4...) Show SMILES CCOC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2N(Cc3ccc(cc3)C(N)=N)C(=O)COc2c1)C(=O)OCC Show InChI InChI=1S/C35H39N5O8/c1-3-46-31(42)17-15-27(35(45)47-4-2)39-34(44)26(18-22-8-6-5-7-9-22)33(43)38-25-14-16-28-29(19-25)48-21-30(41)40(28)20-23-10-12-24(13-11-23)32(36)37/h5-14,16,19,26-27H,3-4,15,17-18,20-21H2,1-2H3,(H3,36,37)(H,38,43)(H,39,44)/t26-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				J Med Chem 48: 3110-3 (2005) Article DOI: 10.1021/jm048984g BindingDB Entry DOI: 10.7270/Q2K0752H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50165959 ((R)-2-Benzyl-N-[4-(4-carbamimidoyl-benzyl)-3-oxo-3...) Show SMILES CCOC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2N(Cc3ccc(cc3)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C28H28N4O5/c1-2-36-28(35)22(14-18-6-4-3-5-7-18)27(34)31-21-12-13-23-24(15-21)37-17-25(33)32(23)16-19-8-10-20(11-9-19)26(29)30/h3-13,15,22H,2,14,16-17H2,1H3,(H3,29,30)(H,31,34)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				J Med Chem 48: 3110-3 (2005) Article DOI: 10.1021/jm048984g BindingDB Entry DOI: 10.7270/Q2K0752H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50165960 (CHEMBL264985 | {2-[4-(4-Carbamimidoyl-benzyl)-3-ox...) Show SMILES CCOC(=O)CNC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(Cc3ccc(cc3)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C30H31N5O6/c1-2-40-27(37)16-33-29(38)23(14-19-6-4-3-5-7-19)30(39)34-22-12-13-24-25(15-22)41-18-26(36)35(24)17-20-8-10-21(11-9-20)28(31)32/h3-13,15,23H,2,14,16-18H2,1H3,(H3,31,32)(H,33,38)(H,34,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				J Med Chem 48: 3110-3 (2005) Article DOI: 10.1021/jm048984g BindingDB Entry DOI: 10.7270/Q2K0752H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50165962 ((S)-2-{2-[4-(4-Carbamimidoyl-benzyl)-3-oxo-3,4-dih...) Show SMILES CCOC(=O)[C@H](C)NC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(Cc3ccc(cc3)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C31H33N5O6/c1-3-41-31(40)19(2)34-29(38)24(15-20-7-5-4-6-8-20)30(39)35-23-13-14-25-26(16-23)42-18-27(37)36(25)17-21-9-11-22(12-10-21)28(32)33/h4-14,16,19,24H,3,15,17-18H2,1-2H3,(H3,32,33)(H,34,38)(H,35,39)/t19-,24?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				J Med Chem 48: 3110-3 (2005) Article DOI: 10.1021/jm048984g BindingDB Entry DOI: 10.7270/Q2K0752H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50165961 ((S)-3-{[2-(4-Carbamimidoyl-benzyloxy)-4-methyl-3-o...) Show SMILES CCOC(=O)C[C@H](NC(=O)c1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1 Show InChI InChI=1S/C29H30N4O6/c1-3-37-25(34)16-22(19-7-5-4-6-8-19)32-27(35)21-13-14-23-24(15-21)39-29(28(36)33(23)2)38-17-18-9-11-20(12-10-18)26(30)31/h4-15,22,29H,3,16-17H2,1-2H3,(H3,30,31)(H,32,35)/t22-,29?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				J Med Chem 48: 3110-3 (2005) Article DOI: 10.1021/jm048984g BindingDB Entry DOI: 10.7270/Q2K0752H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50165958 ((S)-2-{(S)-2-[4-(4-Carbamimidoyl-benzyl)-3-oxo-3,4...) Show SMILES CCOC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2N(Cc3ccc(cc3)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C31H33N5O6/c1-3-41-31(40)19(2)34-29(38)24(15-20-7-5-4-6-8-20)30(39)35-23-13-14-25-26(16-23)42-18-27(37)36(25)17-21-9-11-22(12-10-21)28(32)33/h4-14,16,19,24H,3,15,17-18H2,1-2H3,(H3,32,33)(H,34,38)(H,35,39)/t19-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				J Med Chem 48: 3110-3 (2005) Article DOI: 10.1021/jm048984g BindingDB Entry DOI: 10.7270/Q2K0752H
					More data for this Ligand-Target Pair
CD209 antigen (Homo sapiens (Human))	BDBM50242419 (6-Deoxy-L-galactose | 6-deoxy-L-galactopyranoseL-f...) Show SMILES C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	6.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Displacement of [125I]-Man30-BSA from DC-SIGN receptor carbohydrate recognition domain (unknown origin) after 2 hrs by gamma-counting analysis				Eur J Med Chem 75: 308-26 (2014) Article DOI: 10.1016/j.ejmech.2014.01.047 BindingDB Entry DOI: 10.7270/Q29K4CQR
					More data for this Ligand-Target Pair
CD209 antigen (Homo sapiens (Human))	BDBM50448403 (CHEBI:4208 | D-Mannose) Show SMILES OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.31E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Displacement of [125I]-Man30-BSA from DC-SIGN receptor carbohydrate recognition domain (unknown origin) after 2 hrs by gamma-counting analysis				Eur J Med Chem 75: 308-26 (2014) Article DOI: 10.1016/j.ejmech.2014.01.047 BindingDB Entry DOI: 10.7270/Q29K4CQR
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572198 (CHEMBL4873479) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Br)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572196 (CHEMBL4879265) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50098068 (1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1H-PYRAZOLE-4-C...) Show SMILES CC(C)(C)COc1ccc(cc1C#N)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C16H17N3O3/c1-16(2,3)10-22-14-5-4-13(6-11(14)7-17)19-9-12(8-18-19)15(20)21/h4-6,8-9H,10H2,1-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine-oxygen reductase using xanthine as substrate by spectrophotometric assay				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572194 (CHEMBL4862136) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572195 (CHEMBL4868908) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50098065 (1-(3-Cyano-4-isobutoxy-phenyl)-1H-pyrazole-4-carbo...) Show SMILES CC(C)COc1ccc(cc1C#N)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C15H15N3O3/c1-10(2)9-21-14-4-3-13(5-11(14)6-16)18-8-12(7-17-18)15(19)20/h3-5,7-8,10H,9H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine-oxygen reductase using xanthine as substrate by spectrophotometric assay				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572200 (CHEMBL4862951) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)c(F)c3F)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572201 (CHEMBL4864750) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3F)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572199 (CHEMBL4866999) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Br)cc3F)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 DNA as substrate after 3 hrs by DNA super-coiling assay				J Med Chem 58: 5501-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00489 BindingDB Entry DOI: 10.7270/Q2MP551H
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572197 (CHEMBL4879088) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Cl)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572193 (CHEMBL4873185) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)cc3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50098063 (1-(4-Butoxy-3-cyano-phenyl)-1H-pyrazole-4-carboxyl...) Show SMILES CCCCOc1ccc(cc1C#N)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C15H15N3O3/c1-2-3-6-21-14-5-4-13(7-11(14)8-16)18-10-12(9-17-18)15(19)20/h4-5,7,9-10H,2-3,6H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine-oxygen reductase using xanthine as substrate by spectrophotometric assay				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50098072 (1-(3-Cyano-4-octyloxy-phenyl)-1H-pyrazole-4-carbox...) Show SMILES CCCCCCCCOc1ccc(cc1C#N)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C19H23N3O3/c1-2-3-4-5-6-7-10-25-18-9-8-17(11-15(18)12-20)22-14-16(13-21-22)19(23)24/h8-9,11,13-14H,2-7,10H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine-oxygen reductase using xanthine as substrate by spectrophotometric assay				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572192 (CHEMBL4858549) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)cc3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50267667 (CHEMBL4100922) Show SMILES Clc1ccc(cc1)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1 Show InChI InChI=1S/C12H7ClN6O/c13-7-3-1-6(2-4-7)9-15-11-8-5-14-17-10(8)16-12(20)19(11)18-9/h1-5H,(H2,14,16,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) by SAR analysis				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50098062 (1-(4-Isobutoxy-3-nitro-phenyl)-1H-pyrazole-4-carbo...) Show SMILES CC(C)COc1ccc(cc1[N+]([O-])=O)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C14H15N3O5/c1-9(2)8-22-13-4-3-11(5-12(13)17(20)21)16-7-10(6-15-16)14(18)19/h3-7,9H,8H2,1-2H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine-oxygen reductase using xanthine as substrate by spectrophotometric assay				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50267665 (CHEMBL4070104) Show SMILES Brc1ccc(cc1)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1 Show InChI InChI=1S/C12H7BrN6O/c13-7-3-1-6(2-4-7)9-15-11-8-5-14-17-10(8)16-12(20)19(11)18-9/h1-5H,(H2,14,16,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) by SAR analysis				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572191 (CHEMBL4861727) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)cc3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50267752 (CHEMBL4071536) Show SMILES Oc1ccc(cc1[N+]([O-])=O)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1 Show InChI InChI=1S/C12H7N7O4/c20-8-2-1-5(3-7(8)19(22)23)9-14-11-6-4-13-16-10(6)15-12(21)18(11)17-9/h1-4,20H,(H2,13,15,16,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) by SAR analysis				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50267703 (CHEMBL4076670) Show SMILES Clc1cccc(c1)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1 Show InChI InChI=1S/C12H7ClN6O/c13-7-3-1-2-6(4-7)9-15-11-8-5-14-17-10(8)16-12(20)19(11)18-9/h1-5H,(H2,14,16,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) by SAR analysis				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair

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