Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'basso' and Initial = 'la'   

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))	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))	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))	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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25795 (1-benzoyl-4-(9H-fluoren-9-yl)piperazine | piperazi...) Show SMILES O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccccc1 Show InChI InChI=1S/C24H22N2O/c27-24(18-8-2-1-3-9-18)26-16-14-25(15-17-26)23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23H,14-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25794 (1-(9H-fluoren-9-yl)-4-[(4-methylphenyl)carbonyl]pi...) Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C25H24N2O/c1-18-10-12-19(13-11-18)25(28)27-16-14-26(15-17-27)24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24H,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	222	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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101578 (CHEMBL3393963) Show SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H21FN2O/c25-18-7-5-6-17(16-18)24(28)27-14-12-26(13-15-27)23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-11,16,23H,12-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101580 (CHEMBL3393961) Show SMILES Cc1cccc(c1)C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C25H24N2O/c1-18-7-6-8-19(17-18)25(28)27-15-13-26(14-16-27)24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24/h2-12,17,24H,13-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101577 (CHEMBL3393964) Show SMILES Fc1ccccc1C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H21FN2O/c25-22-12-6-5-11-21(22)24(28)27-15-13-26(14-16-27)23-19-9-3-1-7-17(19)18-8-2-4-10-20(18)23/h1-12,23H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	361	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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101582 (CHEMBL1223644) Show SMILES Fc1ccc(cc1)C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H21FN2O/c25-18-11-9-17(10-12-18)24(28)27-15-13-26(14-16-27)23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	397	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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101576 (CHEMBL3393965) Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H20F2N2O/c25-16-9-10-22(26)21(15-16)24(29)28-13-11-27(12-14-28)23-19-7-3-1-5-17(19)18-6-2-4-8-20(18)23/h1-10,15,23H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.57E+3	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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101583 (CHEMBL3393959) Show SMILES Clc1ccc(cc1)C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H21ClN2O/c25-18-11-9-17(10-12-18)24(28)27-15-13-26(14-16-27)23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.69E+3	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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101584 (CHEMBL3393958) Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-29-19-12-10-18(11-13-19)25(28)27-16-14-26(15-17-27)24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24H,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101579 (CHEMBL3393962) Show SMILES Cc1ccccc1C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C25H24N2O/c1-18-8-2-3-9-19(18)25(28)27-16-14-26(15-17-27)24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h2-13,24H,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.99E+3	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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101455 (CHEMBL3393974) Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H26N2O/c1-20-12-14-23(15-13-20)25(28)27-18-16-26(17-19-27)24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24H,16-19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.83E+3	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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101575 (CHEMBL3393966) Show SMILES O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccncc1 Show InChI InChI=1S/C23H21N3O/c27-23(17-9-11-24-12-10-17)26-15-13-25(14-16-26)22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.77E+3	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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101486 (CHEMBL3393972) Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H24N2O/c27-24(22-14-8-3-9-15-22)26-18-16-25(17-19-26)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101574 (CHEMBL3393967) Show SMILES O=S(=O)(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccccc1 Show InChI InChI=1S/C23H22N2O2S/c26-28(27,18-8-2-1-3-9-18)25-16-14-24(15-17-25)23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23H,14-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					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 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
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 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 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 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
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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101489 (CHEMBL3393971) Show SMILES C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccccc1 Show InChI InChI=1S/C24H24N2/c1-2-8-19(9-3-1)18-25-14-16-26(17-15-25)24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101477 (CHEMBL3393973) Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H26N2O2/c1-29-23-14-12-22(13-15-23)25(28)27-18-16-26(17-19-27)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24H,16-19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101573 (CHEMBL3393968) Show SMILES Cc1ccccc1S(=O)(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H24N2O2S/c1-18-8-2-7-13-23(18)29(27,28)26-16-14-25(15-17-26)24-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24/h2-13,24H,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101565 (CHEMBL3393970) Show SMILES O=C(CN1CCN(CC1)C1c2ccccc2-c2ccccc12)Nc1ccccc1 Show InChI InChI=1S/C25H25N3O/c29-24(26-19-8-2-1-3-9-19)18-27-14-16-28(17-15-27)25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h1-13,25H,14-18H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101454 (CHEMBL3393975) Show SMILES Clc1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H23ClN2O/c25-22-13-11-21(12-14-22)24(28)27-17-15-26(16-18-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101453 (CHEMBL3393976) Show SMILES Fc1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H23FN2O/c25-22-13-11-21(12-14-22)24(28)27-17-15-26(16-18-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101452 (CHEMBL3393977) Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H22F2N2O/c25-20-11-12-22(26)21(17-20)24(29)28-15-13-27(14-16-28)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101451 (CHEMBL486730) Show SMILES O=S(=O)(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H24N2O2S/c26-28(27,22-14-8-3-9-15-22)25-18-16-24(17-19-25)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101572 (CHEMBL3393969) Show SMILES O=C(\C=C\c1ccccc1)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C26H24N2O/c29-25(15-14-20-8-2-1-3-9-20)27-16-18-28(19-17-27)26-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26/h1-15,26H,16-19H2/b15-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101450 (CHEMBL3393978) Show SMILES O=C(\C=C\c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H26N2O/c29-25(17-16-22-10-4-1-5-11-22)27-18-20-28(21-19-27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-17,26H,18-21H2/b17-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50101581 (CHEMBL3393960) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H21N3O3/c28-24(17-9-11-18(12-10-17)27(29)30)26-15-13-25(14-16-26)23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+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 Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spe...				Eur J Med Chem 90: 436-47 (2015) Article DOI: 10.1016/j.ejmech.2014.11.034 BindingDB Entry DOI: 10.7270/Q27S7QHS
					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 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 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

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