Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'sperotto' and Initial = 'n'   

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
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531739 (MA-1 | TPI (freebase) | Tipiracil) Show SMILES Oc1nc(O)c(Cl)c(CN2CCCC2=N)n1 Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Competitive inhibition of thymidine phosphorylase (unknown origin)				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531739 (MA-1 | TPI (freebase) | Tipiracil) Show SMILES Oc1nc(O)c(Cl)c(CN2CCCC2=N)n1 Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of thymidine phosphorylase (unknown origin)				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50122770 (6-Amino-5-bromo-1H-pyrimidine-2,4-dione | 6-Amino-...) Show SMILES Nc1[nH]c(=O)[nH]c(=O)c1Br Show InChI InChI=1S/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of thymidine phosphorylase (unknown origin)				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531732 (CHEMBL4455140) Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I Show InChI InChI=1S/C8H12IN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531729 (CHEMBL4469338) Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1Cl Show InChI InChI=1S/C8H12ClN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531734 (CHEMBL4468378) Show SMILES OCCNCc1[nH]c(=O)[nH]c(=O)c1I Show InChI InChI=1S/C7H10IN3O3/c8-5-4(3-9-1-2-12)10-7(14)11-6(5)13/h9,12H,1-3H2,(H2,10,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531742 (CHEMBL4579188) Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1Br Show InChI InChI=1S/C8H12BrN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531736 (CHEMBL4438928) Show SMILES CN(C)Cc1[nH]c(=O)[nH]c(=O)c1I Show InChI InChI=1S/C7H10IN3O2/c1-11(2)3-4-5(8)6(12)10-7(13)9-4/h3H2,1-2H3,(H2,9,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531740 (CHEMBL4445259) Show SMILES OCCNCc1[nH]c(=O)[nH]c(=O)c1Br Show InChI InChI=1S/C7H10BrN3O3/c8-5-4(3-9-1-2-12)10-7(14)11-6(5)13/h9,12H,1-3H2,(H2,10,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531737 (CHEMBL4527207) Show SMILES Ic1c(CN2CCCCC2)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C10H14IN3O2/c11-8-7(12-10(16)13-9(8)15)6-14-4-2-1-3-5-14/h1-6H2,(H2,12,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50234734 (CHEMBL4094462) Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1 Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using S-(+)-mephenytoin as substrate by HPLC-MS/MS method				Eur J Med Chem 126: 491-501 (2017) Article DOI: 10.1016/j.ejmech.2016.11.048 BindingDB Entry DOI: 10.7270/Q2988972
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50234734 (CHEMBL4094462) Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1 Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate by HPLC-MS/MS method				Eur J Med Chem 126: 491-501 (2017) Article DOI: 10.1016/j.ejmech.2016.11.048 BindingDB Entry DOI: 10.7270/Q2988972
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50234734 (CHEMBL4094462) Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1 Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by HPLC-MS/MS method				Eur J Med Chem 126: 491-501 (2017) Article DOI: 10.1016/j.ejmech.2016.11.048 BindingDB Entry DOI: 10.7270/Q2988972
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50234734 (CHEMBL4094462) Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1 Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by HPLC-MS/MS method				Eur J Med Chem 126: 491-501 (2017) Article DOI: 10.1016/j.ejmech.2016.11.048 BindingDB Entry DOI: 10.7270/Q2988972
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50234734 (CHEMBL4094462) Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1 Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate by HPLC-MS/MS method				Eur J Med Chem 126: 491-501 (2017) Article DOI: 10.1016/j.ejmech.2016.11.048 BindingDB Entry DOI: 10.7270/Q2988972
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50234734 (CHEMBL4094462) Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1 Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by HPLC-MS/MS method				Eur J Med Chem 126: 491-501 (2017) Article DOI: 10.1016/j.ejmech.2016.11.048 BindingDB Entry DOI: 10.7270/Q2988972
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531738 (CHEMBL4542724) Show SMILES Ic1c(CNC2CCCCC2)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C11H16IN3O2/c12-9-8(14-11(17)15-10(9)16)6-13-7-4-2-1-3-5-7/h7,13H,1-6H2,(H2,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531735 (CHEMBL4435521) Show SMILES CN(CC(O)CO)Cc1[nH]c(=O)[nH]c(=O)c1I Show InChI InChI=1S/C9H14IN3O4/c1-13(2-5(15)4-14)3-6-7(10)8(16)12-9(17)11-6/h5,14-15H,2-4H2,1H3,(H2,11,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531731 (CHEMBL4439474) Show SMILES OCCNCc1[nH]c(=O)[nH]c(=O)c1Cl Show InChI InChI=1S/C7H10ClN3O3/c8-5-4(3-9-1-2-12)10-7(14)11-6(5)13/h9,12H,1-3H2,(H2,10,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531743 (CHEMBL4472112) Show SMILES OCC(O)CNCc1[nH]c(=O)[nH]c(=O)c1I Show InChI InChI=1S/C8H12IN3O4/c9-6-5(2-10-1-4(14)3-13)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50134399 (1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione | 7...) Show SMILES O=c1[nH]c2[nH]ccc2c(=O)[nH]1 Show InChI InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of thymidine phosphorylase (unknown origin)				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531741 (CHEMBL4579033) Show SMILES Ic1c(CN2CCOCC2)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C9H12IN3O3/c10-7-6(11-9(15)12-8(7)14)5-13-1-3-16-4-2-13/h1-5H2,(H2,11,12,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50531732 (CHEMBL4455140) Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I Show InChI InChI=1S/C8H12IN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes by HPLC-MS/MS analysis				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531730 (CHEMBL4582134) Show SMILES CCCN(CCC)Cc1[nH]c(=O)[nH]c(=O)c1I Show InChI InChI=1S/C11H18IN3O2/c1-3-5-15(6-4-2)7-8-9(12)10(16)14-11(17)13-8/h3-7H2,1-2H3,(H2,13,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50531732 (CHEMBL4455140) Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I Show InChI InChI=1S/C8H12IN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes by HPLC-MS/MS analysis				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50531732 (CHEMBL4455140) Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I Show InChI InChI=1S/C8H12IN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes by HPLC-MS/MS analysis				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50531732 (CHEMBL4455140) Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I Show InChI InChI=1S/C8H12IN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of CYP2E1 in human liver microsomes by HPLC-MS/MS analysis				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531733 (CHEMBL4464628) Show SMILES OCC(O)CNCc1[nH]c(=O)[nH]c(=O)c1Br Show InChI InChI=1S/C8H12BrN3O4/c9-6-5(2-10-1-4(14)3-13)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50531732 (CHEMBL4455140) Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I Show InChI InChI=1S/C8H12IN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes by HPLC-MS/MS analysis				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50531732 (CHEMBL4455140) Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I Show InChI InChI=1S/C8H12IN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes by HPLC-MS/MS analysis				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
					More data for this Ligand-Target Pair