Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'ducati' and Initial = 'rg'   

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
Aminodeoxyfutalosine synthase (Thermus thermophilus (strain HB8 / ATCC 27634 / DS...)	BDBM50526601 (CHEMBL4461488) Show SMILES OC(=O)C(=C)Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C11H10O4/c1-7(10(12)13)5-8-3-2-4-9(6-8)11(14)15/h2-4,6H,1,5H2,(H,12,13)(H,14,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged Thermus thermophilus HB8 MqnE expressed in Escherichia coli BL21 (DE3) co-expressing [4Fe-4S]2+ cluster using 3-...				ACS Med Chem Lett 10: 363-366 (2019) Article DOI: 10.1021/acsmedchemlett.8b00649 BindingDB Entry DOI: 10.7270/Q2ZC86B3
					More data for this Ligand-Target Pair
Aminodeoxyfutalosine synthase (Thermus thermophilus (strain HB8 / ATCC 27634 / DS...)	BDBM50526601 (CHEMBL4461488) Show SMILES OC(=O)C(=C)Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C11H10O4/c1-7(10(12)13)5-8-3-2-4-9(6-8)11(14)15/h2-4,6H,1,5H2,(H,12,13)(H,14,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged Thermus thermophilus HB8 MqnE expressed in Escherichia coli BL21 (DE3) co-expressing [4Fe-4S]2+ cluster using 3-...				ACS Med Chem Lett 10: 363-366 (2019) Article DOI: 10.1021/acsmedchemlett.8b00649 BindingDB Entry DOI: 10.7270/Q2ZC86B3
					More data for this Ligand-Target Pair
Aminodeoxyfutalosine synthase (Thermus thermophilus (strain HB8 / ATCC 27634 / DS...)	BDBM50526602 (CHEMBL4534412) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCC(Cc2cccc(c2)C(O)=O)C(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H23N5O7/c22-17-14-18(24-8-23-17)26(9-25-14)19-16(28)15(27)13(33-19)5-4-12(21(31)32)7-10-2-1-3-11(6-10)20(29)30/h1-3,6,8-9,12-13,15-16,19,27-28H,4-5,7H2,(H,29,30)(H,31,32)(H2,22,23,24)/t12?,13-,15-,16-,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged Thermus thermophilus HB8 MqnE expressed in Escherichia coli BL21 (DE3) co-expressing [4Fe-4S]2+ cluster using 3-...				ACS Med Chem Lett 10: 363-366 (2019) Article DOI: 10.1021/acsmedchemlett.8b00649 BindingDB Entry DOI: 10.7270/Q2ZC86B3
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Mycobacterium tuberculosis)	BDBM50021776 (2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...) Show SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1 Show InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis				Bioorg Med Chem 18: 4769-74 (2011) Article DOI: 10.1016/j.bmc.2010.05.009 BindingDB Entry DOI: 10.7270/Q2TQ62T5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Mycobacterium tuberculosis)	BDBM50423778 (Leukerin | MERCAPTOPURINE | Mercaleukin | Mercapto...) Show SMILES S=c1[nH]cnc2nc[nH]c12 Show InChI InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.94E+4	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis				Bioorg Med Chem 18: 4769-74 (2011) Article DOI: 10.1016/j.bmc.2010.05.009 BindingDB Entry DOI: 10.7270/Q2TQ62T5
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Mycobacterium tuberculosis)	BDBM50334271 (6-(methylthio)-9H-purin-2-amine | 6-methylsulfanyl...) Show SMILES CSc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	3.16E+5	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis				Bioorg Med Chem 18: 4769-74 (2011) Article DOI: 10.1016/j.bmc.2010.05.009 BindingDB Entry DOI: 10.7270/Q2TQ62T5
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Mycobacterium tuberculosis)	BDBM85707 (CAS_82410-32-0 | DHPG | NSC_3454) Show SMILES Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1 Show InChI InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis				Bioorg Med Chem 18: 4769-74 (2011) Article DOI: 10.1016/j.bmc.2010.05.009 BindingDB Entry DOI: 10.7270/Q2TQ62T5
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510218 (CHEMBL4439603) Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSCCCc4cn(Cc5ccccc5)nn4)C3)c[nH]c12 |r| Show InChI InChI=1S/C24H30N8OS/c25-24-23-22(27-16-28-24)18(9-26-23)11-31-12-19(21(33)14-31)15-34-8-4-7-20-13-32(30-29-20)10-17-5-2-1-3-6-17/h1-3,5-6,9,13,16,19,21,26,33H,4,7-8,10-12,14-15H2,(H2,25,27,28)/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510219 (CHEMBL4439224) Show SMILES Cn1cc(CSC[C@H]2CN(Cc3c[nH]c4c(N)ncnc34)C[C@@H]2O)nn1 |r| Show InChI InChI=1S/C16H22N8OS/c1-23-5-12(21-22-23)8-26-7-11-4-24(6-13(11)25)3-10-2-18-15-14(10)19-9-20-16(15)17/h2,5,9,11,13,18,25H,3-4,6-8H2,1H3,(H2,17,19,20)/t11-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510220 (CHEMBL4555970) Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSCc4cn(CC=C)nn4)C3)c[nH]c12 |r| Show InChI InChI=1S/C18H24N8OS/c1-2-3-26-7-14(23-24-26)10-28-9-13-6-25(8-15(13)27)5-12-4-20-17-16(12)21-11-22-18(17)19/h2,4,7,11,13,15,20,27H,1,3,5-6,8-10H2,(H2,19,21,22)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510221 (CHEMBL4555691) Show SMILES CCCCn1cc(CSC[C@H]2CN(Cc3c[nH]c4c(N)ncnc34)C[C@@H]2O)nn1 |r| Show InChI InChI=1S/C19H28N8OS/c1-2-3-4-27-8-15(24-25-27)11-29-10-14-7-26(9-16(14)28)6-13-5-21-18-17(13)22-12-23-19(18)20/h5,8,12,14,16,21,28H,2-4,6-7,9-11H2,1H3,(H2,20,22,23)/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510222 (CHEMBL4586326) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)nccc23)C[C@@H]1O |r| Show InChI InChI=1S/C14H20N4OS/c1-20-8-10-6-18(7-12(10)19)5-9-4-17-13-11(9)2-3-16-14(13)15/h2-4,10,12,17,19H,5-8H2,1H3,(H2,15,16)/t10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510223 (CHEMBL4444249) Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSCc4cn(Cc5ccccc5)nn4)C3)c[nH]c12 |r| Show InChI InChI=1S/C22H26N8OS/c23-22-21-20(25-14-26-22)16(6-24-21)8-29-9-17(19(31)11-29)12-32-13-18-10-30(28-27-18)7-15-4-2-1-3-5-15/h1-6,10,14,17,19,24,31H,7-9,11-13H2,(H2,23,25,26)/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510224 (CHEMBL4451807) Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSc4ncccn4)C3)c[nH]c12 |r| Show InChI InChI=1S/C16H19N7OS/c17-15-14-13(21-9-22-15)10(4-20-14)5-23-6-11(12(24)7-23)8-25-16-18-2-1-3-19-16/h1-4,9,11-12,20,24H,5-8H2,(H2,17,21,22)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510225 (CHEMBL4450105) Show SMILES CCCCn1cc(CCCSC[C@H]2CN(Cc3c[nH]c4c(N)ncnc34)C[C@@H]2O)nn1 |r| Show InChI InChI=1S/C21H32N8OS/c1-2-3-6-29-11-17(26-27-29)5-4-7-31-13-16-10-28(12-18(16)30)9-15-8-23-20-19(15)24-14-25-21(20)22/h8,11,14,16,18,23,30H,2-7,9-10,12-13H2,1H3,(H2,22,24,25)/t16-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510226 (CHEMBL4469129) Show SMILES Cn1cc(CCCSC[C@H]2CN(Cc3c[nH]c4c(N)ncnc34)C[C@@H]2O)nn1 |r| Show InChI InChI=1S/C18H26N8OS/c1-25-8-14(23-24-25)3-2-4-28-10-13-7-26(9-15(13)27)6-12-5-20-17-16(12)21-11-22-18(17)19/h5,8,11,13,15,20,27H,2-4,6-7,9-10H2,1H3,(H2,19,21,22)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510227 (CHEMBL4445386) Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSCC#C)C3)c[nH]c12 |r| Show InChI InChI=1S/C15H19N5OS/c1-2-3-22-8-11-6-20(7-12(11)21)5-10-4-17-14-13(10)18-9-19-15(14)16/h1,4,9,11-12,17,21H,3,5-8H2,(H2,16,18,19)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510228 (CHEMBL4469234) Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSCCCc4cn(CC=C)nn4)C3)c[nH]c12 |r| Show InChI InChI=1S/C20H28N8OS/c1-2-5-28-10-16(25-26-28)4-3-6-30-12-15-9-27(11-17(15)29)8-14-7-22-19-18(14)23-13-24-20(19)21/h2,7,10,13,15,17,22,29H,1,3-6,8-9,11-12H2,(H2,21,23,24)/t15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510229 (CHEMBL4472065) Show SMILES CSC[C@H]1CN(Cc2[nH]nc3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C12H18N6OS/c1-20-5-7-2-18(4-9(7)19)3-8-10-11(17-16-8)12(13)15-6-14-10/h6-7,9,19H,2-5H2,1H3,(H,16,17)(H2,13,14,15)/t7-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510230 (CHEMBL4465346) Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSCCCC#C)C3)c[nH]c12 |r| Show InChI InChI=1S/C17H23N5OS/c1-2-3-4-5-24-10-13-8-22(9-14(13)23)7-12-6-19-16-15(12)20-11-21-17(16)18/h1,6,11,13-14,19,23H,3-5,7-10H2,(H2,18,20,21)/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Mycobacterium tuberculosis)	BDBM50412071 (CHEMBL388931) Show SMILES CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis				Bioorg Med Chem 18: 4769-74 (2011) Article DOI: 10.1016/j.bmc.2010.05.009 BindingDB Entry DOI: 10.7270/Q2TQ62T5
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Mycobacterium tuberculosis)	BDBM50423777 (OXYPURINOL | Oxipurinol) Show SMILES O=c1[nH]c2n[nH]cc2c(=O)[nH]1 Show InChI InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.94E+5	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis				Bioorg Med Chem 18: 4769-74 (2011) Article DOI: 10.1016/j.bmc.2010.05.009 BindingDB Entry DOI: 10.7270/Q2TQ62T5
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Mycobacterium tuberculosis)	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 DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis				Bioorg Med Chem 18: 4769-74 (2011) Article DOI: 10.1016/j.bmc.2010.05.009 BindingDB Entry DOI: 10.7270/Q2TQ62T5
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Mycobacterium tuberculosis)	BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) Show SMILES O=c1[nH]cnc2ccccc12 Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.16E+5	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis				Bioorg Med Chem 18: 4769-74 (2011) Article DOI: 10.1016/j.bmc.2010.05.009 BindingDB Entry DOI: 10.7270/Q2TQ62T5
					More data for this Ligand-Target Pair