Compile Data Set for Download or QSAR

Found 10 hits of ic50 for UniProtKB: P61076   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182122 (CHEMBL204688 | bis(2,4-dinitrophenyl)sulfane) Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C12H6N4O8S/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182128 (4-nitrobenzo[c][1,2,5]thiadiazole | CHEMBL383084) Show SMILES [O-][N+](=O)c1cccc2nsnc12 Show InChI InChI=1S/C6H3N3O2S/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182124 (6,7-dinitroquinoxaline | CHEMBL380953) Show SMILES [O-][N+](=O)c1cc2nccnc2cc1[N+]([O-])=O Show InChI InChI=1S/C8H4N4O4/c13-11(14)7-3-5-6(10-2-1-9-5)4-8(7)12(15)16/h1-4H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50068343 (2-Chloro-1,3-dinitro-5-trifluoromethyl-benzene | 2...) Show SMILES [O-][N+](=O)c1cc(cc(c1Cl)[N+]([O-])=O)C(F)(F)F Show InChI InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182129 (5-nitrobenzo[c][1,2,5]thiadiazole | CHEMBL206713) Show SMILES [O-][N+](=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C6H3N3O2S/c10-9(11)4-1-2-5-6(3-4)8-12-7-5/h1-3H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182121 (4,5-dinitrobenzo[d][1,3]dioxole | CHEMBL206829) Show SMILES [O-][N+](=O)c1ccc2OCOc2c1[N+]([O-])=O Show InChI InChI=1S/C7H4N2O6/c10-8(11)4-1-2-5-7(15-3-14-5)6(4)9(12)13/h1-2H,3H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182130 (4,6-dinitrobenzo[c][1,2,5]thiadiazole | CHEMBL2061...) Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2nsnc2c1 Show InChI InChI=1S/C6H2N4O4S/c11-9(12)3-1-4-6(8-15-7-4)5(2-3)10(13)14/h1-2H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182125 (CHEMBL204687 | bis(2-nitro-4-(trifluoromethyl)phen...) Show SMILES [O-][N+](=O)c1cc(ccc1Sc1ccc(cc1[N+]([O-])=O)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C14H6F6N2O4S/c15-13(16,17)7-1-3-11(9(5-7)21(23)24)27-12-4-2-8(14(18,19)20)6-10(12)22(25)26/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182126 (1,3-dinitro-5-(trifluoromethyl)benzene | CHEMBL380...) Show SMILES [O-][N+](=O)c1cc(cc(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182127 (6-nitroquinoxaline | CHEMBL380630 | TCMDC-123943) Show SMILES [O-][N+](=O)c1ccc2nccnc2c1 Show InChI InChI=1S/C8H5N3O2/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7/h1-5H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair