Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'park' and Initial = 'sw'   

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
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316153 (CHEMBL4299745) Show SMILES CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3cc(F)ccc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H17FN8O6S.C6H15N/c19-7-1-2-8-9(3-7)25-26-17(12(8)28)34(31,32)24-4-10-13(29)14(30)18(33-10)27-6-23-11-15(20)21-5-22-16(11)27;1-4-7(5-2)6-3/h1-3,5-6,10,13-14,18,24,29-30H,4H2,(H,25,28)(H2,20,21,22);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316152 (CHEMBL4299749) Show SMILES CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3ccccc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H18N8O6S.C6H15N/c19-15-11-16(21-6-20-15)26(7-22-11)18-14(29)13(28)10(32-18)5-23-33(30,31)17-12(27)8-3-1-2-4-9(8)24-25-17;1-4-7(5-2)6-3/h1-4,6-7,10,13-14,18,23,28-29H,5H2,(H,24,27)(H2,19,20,21);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316151 (CHEMBL4299747) Show SMILES CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3cc(F)c(F)cc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H16F2N8O6S.C6H15N/c19-7-1-6-9(2-8(7)20)26-27-17(12(6)29)35(32,33)25-3-10-13(30)14(31)18(34-10)28-5-24-11-15(21)22-4-23-16(11)28;1-4-7(5-2)6-3/h1-2,4-5,10,13-14,18,25,30-31H,3H2,(H,26,29)(H2,21,22,23);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316154 (CHEMBL4299748) Show SMILES CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3ccc(F)cc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H17FN8O6S.C6H15N/c19-7-1-2-9-8(3-7)12(28)17(26-25-9)34(31,32)24-4-10-13(29)14(30)18(33-10)27-6-23-11-15(20)21-5-22-16(11)27;1-4-7(5-2)6-3/h1-3,5-6,10,13-14,18,24,29-30H,4H2,(H,25,28)(H2,20,21,22);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316149 (CHEMBL4168282) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2c[nH]c3ccccc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H19N7O6S/c20-17-13-18(23-7-22-17)26(8-24-13)19-16(29)15(28)11(32-19)5-25-33(30,31)12-6-21-10-4-2-1-3-9(10)14(12)27/h1-4,6-8,11,15-16,19,25,28-29H,5H2,(H,21,27)(H2,20,22,23)/t11-,15-,16-,19-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316150 (CHEMBL4160378) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2noc3ccccc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H17N7O7S/c19-15-11-16(21-6-20-15)25(7-22-11)18-14(28)13(27)10(31-18)5-23-33(29,30)17-12(26)8-3-1-2-4-9(8)32-24-17/h1-4,6-7,10,13-14,18,23,27-28H,5H2,(H2,19,20,21)/t10-,13-,14-,18-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50052059 (5-Methyl-5-phenyl-6-thia-10b-aza-benzo[e]azulen-4-...) Show SMILES CC1(Sc2ccccc2-n2cccc2C1=O)c1ccccc1 Show InChI InChI=1S/C19H15NOS/c1-19(14-8-3-2-4-9-14)18(21)16-11-7-13-20(16)15-10-5-6-12-17(15)22-19/h2-13H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50052043 (5-Ethyl-5-phenyl-6-thia-10b-aza-benzo[e]azulen-4-o...) Show SMILES CCC1(Sc2ccccc2-n2cccc2C1=O)c1ccccc1 Show InChI InChI=1S/C20H17NOS/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2473 (13-chloro-9-methyl-2-thia-3,9-diazatricyclo[8.4.0....) Show SMILES CN1c2ccc(Cl)cc2S(=O)(=O)n2cccc2C1=O Show InChI InChI=1S/C12H9ClN2O3S/c1-14-9-5-4-8(13)7-11(9)19(17,18)15-6-2-3-10(15)12(14)16/h2-7H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2472 (13-chloro-2-thia-3,9-diazatricyclo[8.4.0.0^{3,7}]t...) Show SMILES Clc1ccc2NC(=O)c3cccn3S(=O)(=O)c2c1 Show InChI InChI=1S/C11H7ClN2O3S/c12-7-3-4-8-10(6-7)18(16,17)14-5-1-2-9(14)11(15)13-8/h1-6H,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498540 (CHEMBL3609278) Show SMILES C=CCC1(Sc2ccccc2-n2cccc2C1=O)c1ccccc1 Show InChI InChI=1S/C21H17NOS/c1-2-14-21(16-9-4-3-5-10-16)20(23)18-12-8-15-22(18)17-11-6-7-13-19(17)24-21/h2-13,15H,1,14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498543 (CHEMBL3609279) Show SMILES CCC1(Sc2ccccc2-n2cccc2C1=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H19NOS/c1-2-24(19-14-13-17-8-3-4-9-18(17)16-19)23(26)21-11-7-15-25(21)20-10-5-6-12-22(20)27-24/h3-16H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498542 (CHEMBL3608739) Show SMILES [#6]-[#6]C1([#6]\[#6]=[#6](\[#6])-[#6])[#16]-c2ccccc2-n2cccc2-[#6]1=O Show InChI InChI=1S/C19H21NOS/c1-4-19(12-11-14(2)3)18(21)16-9-7-13-20(16)15-8-5-6-10-17(15)22-19/h5-11,13H,4,12H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2474 (13-chloro-9-ethyl-2-thia-3,9-diazatricyclo[8.4.0.0...) Show SMILES CCN1c2ccc(Cl)cc2S(=O)(=O)n2cccc2C1=O Show InChI InChI=1S/C13H11ClN2O3S/c1-2-15-10-6-5-9(14)8-12(10)20(18,19)16-7-3-4-11(16)13(15)17/h3-8H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2475 (13-chloro-9-(prop-2-en-1-yl)-2-thia-3,9-diazatricy...) Show SMILES Clc1ccc2N(CC=C)C(=O)c3cccn3S(=O)(=O)c2c1 Show InChI InChI=1S/C14H11ClN2O3S/c1-2-7-16-11-6-5-10(15)9-13(11)21(19,20)17-8-3-4-12(17)14(16)18/h2-6,8-9H,1,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498539 (CHEMBL3608735) Show SMILES C\C=C\CN1c2ccc(Cl)cc2S(=O)(=O)n2cccc2C1=O Show InChI InChI=1S/C15H13ClN2O3S/c1-2-3-8-17-12-7-6-11(16)10-14(12)22(20,21)18-9-4-5-13(18)15(17)19/h2-7,9-10H,8H2,1H3/b3-2+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2465 (10-methyi-5H- pyrrolo1,2 -b] [ 1,2,5] benzothiadia...) Show SMILES CN1c2ccccc2S(=O)(=O)n2cccc2C1=O Show InChI InChI=1S/C12H10N2O3S/c1-13-9-5-2-3-7-11(9)18(16,17)14-8-4-6-10(14)12(13)15/h2-8H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2466 (9-ethyl-2-thia-3,9-diazatricyclo[8.4.0.0^{3,7}]tet...) Show SMILES CCN1c2ccccc2S(=O)(=O)n2cccc2C1=O Show InChI InChI=1S/C13H12N2O3S/c1-2-14-10-6-3-4-8-12(10)19(17,18)15-9-5-7-11(15)13(14)16/h3-9H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2464 (2-thia-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1...) Show SMILES O=C1Nc2ccccc2S(=O)(=O)n2cccc12 Show InChI InChI=1S/C11H8N2O3S/c14-11-9-5-3-7-13(9)17(15,16)10-6-2-1-4-8(10)12-11/h1-7H,(H,12,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2468 (9-(propan-2-yl)-2-thia-3,9-diazatricyclo[8.4.0.0^{...) Show SMILES CC(C)N1c2ccccc2S(=O)(=O)n2cccc2C1=O Show InChI InChI=1S/C14H14N2O3S/c1-10(2)16-11-6-3-4-8-13(11)20(18,19)15-9-5-7-12(15)14(16)17/h3-10H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2469 (9-(prop-2-en-1-yl)-2-thia-3,9-diazatricyclo[8.4.0....) Show SMILES C=CCN1c2ccccc2S(=O)(=O)n2cccc2C1=O Show InChI InChI=1S/C14H12N2O3S/c1-2-9-15-11-6-3-4-8-13(11)20(18,19)16-10-5-7-12(16)14(15)17/h2-8,10H,1,9H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498541 (CHEMBL3608732) Show SMILES CCN1c2cc(Cl)ccc2S(=O)(=O)n2cccc2C1=O Show InChI InChI=1S/C13H11ClN2O3S/c1-2-15-11-8-9(14)5-6-12(11)20(18,19)16-7-3-4-10(16)13(15)17/h3-8H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
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))	BDBM108032 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S...) Show SMILES CC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H22O11/c1-2-13-16(27)18(29)19(30)22(32-13)33-21-17(28)15-12(26)6-9(23)7-14(15)31-20(21)8-3-4-10(24)11(25)5-8/h3-7,13,16,18-19,22-25,27-30H,2H2,1H3/t13-,16-,18+,19-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	7.6	25
SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.					Assay Description Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...				Chem Biol Drug Des 83: 119-25 (2014) Article DOI: 10.1111/cbdd.12205 BindingDB Entry DOI: 10.7270/Q2Z89B2H
					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))	BDBM50100861 (3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...) Show SMILES OC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	7.6	25
SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.					Assay Description Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...				Chem Biol Drug Des 83: 119-25 (2014) Article DOI: 10.1111/cbdd.12205 BindingDB Entry DOI: 10.7270/Q2Z89B2H
					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))	BDBM108031 (2,4,6-trihydroxybenzoic acid (M3)) Show SMILES OC(=O)c1c(O)cc(O)cc1O Show InChI InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	7.6	25
SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.					Assay Description Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...				Chem Biol Drug Des 83: 119-25 (2014) Article DOI: 10.1111/cbdd.12205 BindingDB Entry DOI: 10.7270/Q2Z89B2H
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM4374 ((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	7.6	25
SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.					Assay Description Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...				Chem Biol Drug Des 83: 119-25 (2014) Article DOI: 10.1111/cbdd.12205 BindingDB Entry DOI: 10.7270/Q2Z89B2H
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM108034 (5,7‐dihydroxy‐2‐(4‐hydroxy...) Show SMILES OCC1OC(Oc2cc3c(cc(O)cc3=[OH+])oc2-c2ccc(O)cc2)C(O)C(O)C1O Show InChI InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-24,26-28H,8H2/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	7.6	25
SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.					Assay Description Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...				Chem Biol Drug Des 83: 119-25 (2014) Article DOI: 10.1111/cbdd.12205 BindingDB Entry DOI: 10.7270/Q2Z89B2H
					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))	BDBM50347135 (Cyanidin-3-glucoside (M8) | KUROMANIN) Show SMILES OCC1OC(Oc2cc3c(cc(O)cc3=[OH+])oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O Show InChI InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-24,26-29H,7H2/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	7.6	25
SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.					Assay Description Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...				Chem Biol Drug Des 83: 119-25 (2014) Article DOI: 10.1111/cbdd.12205 BindingDB Entry DOI: 10.7270/Q2Z89B2H
					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))	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	7.50E+3	n/a	n/a	n/a	n/a	7.6	25
SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.					Assay Description Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...				Chem Biol Drug Des 83: 119-25 (2014) Article DOI: 10.1111/cbdd.12205 BindingDB Entry DOI: 10.7270/Q2Z89B2H
					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))	BDBM50214744 ((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...) Show SMILES COc1cc(\C=C\C(O)=O)ccc1O Show InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	7.6	25
SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.					Assay Description Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...				Chem Biol Drug Des 83: 119-25 (2014) Article DOI: 10.1111/cbdd.12205 BindingDB Entry DOI: 10.7270/Q2Z89B2H
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50337364 (3-methoxy-4-hydroxybenzoic acid | 4-Hydroxy-3-meth...) Show SMILES COc1cc(ccc1O)C(O)=O Show InChI InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	7.6	25
SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.					Assay Description Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...				Chem Biol Drug Des 83: 119-25 (2014) Article DOI: 10.1111/cbdd.12205 BindingDB Entry DOI: 10.7270/Q2Z89B2H
					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))	BDBM108033 (3'-methoxyhirsutrin (M7) | 3‐{[(2S,3R,4S...) Show SMILES CC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(OC)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H24O11/c1-3-13-17(27)19(29)20(30)23(33-13)34-22-18(28)16-12(26)7-10(24)8-15(16)32-21(22)9-4-5-11(25)14(6-9)31-2/h4-8,13,17,19-20,23-25,27-30H,3H2,1-2H3/t13-,17-,19+,20-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	7.6	25
SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.					Assay Description Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...				Chem Biol Drug Des 83: 119-25 (2014) Article DOI: 10.1111/cbdd.12205 BindingDB Entry DOI: 10.7270/Q2Z89B2H
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM108035 (5,7‐dihydroxy‐2‐(4‐hydroxy...) Show SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(=[OH+])c2cc1OC1OC(CO)C(O)C(O)C1O Show InChI InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-25,27-29H,8H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.					Assay Description Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...				Chem Biol Drug Des 83: 119-25 (2014) Article DOI: 10.1111/cbdd.12205 BindingDB Entry DOI: 10.7270/Q2Z89B2H
					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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50102264 (CHEMBL322698 | Pyrazine-2-carboxylic acid N'-pyrro...) Show SMILES O=C(NNc1nc2ccccc2n2cccc12)c1cnccn1 Show InChI InChI=1S/C16H12N6O/c23-16(12-10-17-7-8-18-12)21-20-15-14-6-3-9-22(14)13-5-2-1-4-11(13)19-15/h1-10H,(H,19,20)(H,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50494046 (CHEMBL2440486) Show SMILES O=C1N(Cc2ccccc2C#N)c2cccn2S(=O)(=O)N1Cc1ccccc1 Show InChI InChI=1S/C20H16N4O3S/c21-13-17-9-4-5-10-18(17)15-22-19-11-6-12-23(19)28(26,27)24(20(22)25)14-16-7-2-1-3-8-16/h1-12H,14-15H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair

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