Compile Data Set for Download or QSAR

Found 226 hits with Last Name = 'becker' and Initial = 'k'   

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
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	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to Plasmodium falciparum TrxR in presence of thioredoxin				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))	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	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to Plasmodium falciparum TrxR in presence of NADPH				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	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to Plasmodium falciparum TrxR in presence of thioredoxin				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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to Plasmodium falciparum TrxR in presence of NADPH				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
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50176071 (2-(2-Amino-ethylamino)-N-(7-{2-[N'-(5-nitro-furan-...) Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)NNC(=O)Cc1ccc2ccc(NC(=O)C[NH+]3CC[NH2+][Pt]3(Cl)Cl)cc2c1 Show InChI InChI=1S/C21H22N6O6.2ClH.Pt/c22-7-8-23-12-19(29)24-16-4-3-14-2-1-13(9-15(14)11-16)10-18(28)25-26-21(30)17-5-6-20(33-17)27(31)32;;;/h1-6,9,11,23H,7-8,10,12,22H2,(H,24,29)(H,25,28)(H,26,30);2*1H;/q;;;+4/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase				J Med Chem 48: 7024-39 (2005) Article DOI: 10.1021/jm050256l BindingDB Entry DOI: 10.7270/Q2CN73F9
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50121447 (5-Nitro-furan-2-carboxylic acid N'-(2-naphthalen-2...) Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)NNC(=O)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C17H13N3O5/c21-15(10-11-5-6-12-3-1-2-4-13(12)9-11)18-19-17(22)14-7-8-16(25-14)20(23)24/h1-9H,10H2,(H,18,21)(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase				J Med Chem 48: 7024-39 (2005) Article DOI: 10.1021/jm050256l BindingDB Entry DOI: 10.7270/Q2CN73F9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM238895 (US10053433, Casodex (CDX) | US10053433, FC 4.037 (...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM238895 (US10053433, Casodex (CDX) | US10053433, FC 4.037 (...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM238895 (US10053433, Casodex (CDX) | US10053433, FC 4.037 (...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	360	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM239191 (US10053433, FC 3.077) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cn1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-11(18)3-5-12)15(25)24-14-6-13(17(19,20)21)10(7-22)8-23-14/h2-6,8,26H,9H2,1H3,(H,23,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	490	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096018 (6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O |w:14.16| Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of Plasmodium falciparum Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
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
Androgen receptor (Homo sapiens (Human))	BDBM242618 (US10053433, FC 4.025) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(S(=O)(=O)C=C)S(=O)(=O)C=C)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F4NO8S3/c1-4-36(30,31)19(37(32,33)5-2)17-11-8-15(12-18(17)22(24,25)26)27-20(28)21(3,29)13-38(34,35)16-9-6-14(23)7-10-16/h4-12,19,29H,1-2,13H2,3H3,(H,27,28)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	580	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096035 (6-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(O)=O |w:15.17| Show InChI InChI=1S/C17H18O5/c1-10-11(6-3-2-4-9-14(19)20)17(22)15-12(16(10)21)7-5-8-13(15)18/h3,5-8,18,21-22H,2,4,9H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of human Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM242588 (US10053433, FC 4.039) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H17ClF4N2O5S/c1-18(29,10-32(30,31)13-5-2-11(21)3-6-13)17(28)25-12-4-7-15(26-16(27)9-20)14(8-12)19(22,23)24/h2-8,29H,9-10H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396489 (CHEMBL2170943) Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096062 (5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(O)=O |w:15.17| Show InChI InChI=1S/C16H16O5/c1-9-10(5-2-3-8-13(18)19)16(21)14-11(15(9)20)6-4-7-12(14)17/h2,4-7,17,20-21H,3,8H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of human Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM238895 (US10053433, Casodex (CDX) | US10053433, FC 4.037 (...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM242618 (US10053433, FC 4.025) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(S(=O)(=O)C=C)S(=O)(=O)C=C)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F4NO8S3/c1-4-36(30,31)19(37(32,33)5-2)17-11-8-15(12-18(17)22(24,25)26)27-20(28)21(3,29)13-38(34,35)16-9-6-14(23)7-10-16/h4-12,19,29H,1-2,13H2,3H3,(H,27,28)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096035 (6-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(O)=O |w:15.17| Show InChI InChI=1S/C17H18O5/c1-10-11(6-3-2-4-9-14(19)20)17(22)15-12(16(10)21)7-5-8-13(15)18/h3,5-8,18,21-22H,2,4,9H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of Plasmodium falciparum Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396486 (CHEMBL2171113) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396521 (CHEMBL2170936) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc(F)cc3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-3-4-18(27)14-25-22(28)16-7-10-20-19(13-16)26-23(29)21(30-20)12-15-5-8-17(24)9-6-15/h5-10,12-13,18H,2-4,11,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM239363 (US10053433, FC 4.126) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C16H14F4N2O4S/c1-15(24,9-27(25,26)12-4-2-11(17)3-5-12)14(23)22-13-8-10(6-7-21-13)16(18,19)20/h2-8,24H,9H2,1H3,(H,21,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396519 (CHEMBL2170938) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3c(F)cccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-5-15(28)13-26-22(29)14-8-9-20-19(11-14)27-23(30)21(31-20)12-16-17(24)6-3-7-18(16)25/h3,6-9,11-12,15H,2,4-5,10,13H2,1H3,(H,26,29)(H,27,30)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396486 (CHEMBL2171113) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396489 (CHEMBL2170943) Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50425732 (ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank US Patent	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					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 1, cytoplasmic/2, mitochondrial/3 (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem 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 human 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
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396521 (CHEMBL2170936) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc(F)cc3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-3-4-18(27)14-25-22(28)16-7-10-20-19(13-16)26-23(29)21(30-20)12-15-5-8-17(24)9-6-15/h5-10,12-13,18H,2-4,11,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396522 (CHEMBL2170935) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-10-4-7-18(27)14-25-22(28)16-8-9-20-19(13-16)26-23(29)21(30-20)12-15-5-3-6-17(24)11-15/h3,5-6,8-9,11-13,18H,2,4,7,10,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396517 (CHEMBL2170940) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc4ccccc4c3)C(=O)Nc2c1 Show InChI InChI=1S/C27H27N3O2S/c1-2-30-13-5-8-22(30)17-28-26(31)21-11-12-24-23(16-21)29-27(32)25(33-24)15-18-9-10-19-6-3-4-7-20(19)14-18/h3-4,6-7,9-12,14-16,22H,2,5,8,13,17H2,1H3,(H,28,31)(H,29,32)/b25-15-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096062 (5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(O)=O |w:15.17| Show InChI InChI=1S/C16H16O5/c1-9-10(5-2-3-8-13(18)19)16(21)14-11(15(9)20)6-4-7-12(14)17/h2,4-7,17,20-21H,3,8H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of Plasmodium falciparum Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM239316 (US10053433, FC 4.116) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cncc(c1)C(F)(F)F |r| Show InChI InChI=1S/C16H14F4N2O4S/c1-15(24,9-27(25,26)13-4-2-11(17)3-5-13)14(23)22-12-6-10(7-21-8-12)16(18,19)20/h2-8,24H,9H2,1H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.53E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396488 (CHEMBL2170929) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3Cl)C(=O)Nc2c1 Show InChI InChI=1S/C23H24ClN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096018 (6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O |w:14.16| Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of human Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396519 (CHEMBL2170938) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3c(F)cccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-5-15(28)13-26-22(29)14-8-9-20-19(11-14)27-23(30)21(31-20)12-16-17(24)6-3-7-18(16)25/h3,6-9,11-12,15H,2,4-5,10,13H2,1H3,(H,26,29)(H,27,30)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096071 (5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCC(O)=O |w:14.16| Show InChI InChI=1S/C16H16O4/c1-10-11(6-4-5-9-14(17)18)16(20)13-8-3-2-7-12(13)15(10)19/h2-4,6-8,19-20H,5,9H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of human Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396517 (CHEMBL2170940) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc4ccccc4c3)C(=O)Nc2c1 Show InChI InChI=1S/C27H27N3O2S/c1-2-30-13-5-8-22(30)17-28-26(31)21-11-12-24-23(16-21)29-27(32)25(33-24)15-18-9-10-19-6-3-4-7-20(19)14-18/h3-4,6-7,9-12,14-16,22H,2,5,8,13,17H2,1H3,(H,28,31)(H,29,32)/b25-15-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396515 (CHEMBL2170945) Show SMILES CCCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C24H26FN3O2S/c1-2-11-28-12-5-7-18(28)15-26-23(29)17-9-10-21-20(13-17)27-24(30)22(31-21)14-16-6-3-4-8-19(16)25/h3-4,6,8-10,13-14,18H,2,5,7,11-12,15H2,1H3,(H,26,29)(H,27,30)/b22-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50094975 (956104-40-8 | ARN-509 | JNJ-56021927 | US10053433,...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.11E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50094975 (956104-40-8 | ARN-509 | JNJ-56021927 | US10053433,...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396488 (CHEMBL2170929) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3Cl)C(=O)Nc2c1 Show InChI InChI=1S/C23H24ClN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396520 (CHEMBL2170937) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-6-16(28)13-26-22(29)15-8-9-19-18(11-15)27-23(30)20(31-19)12-14-5-3-7-17(24)21(14)25/h3,5,7-9,11-12,16H,2,4,6,10,13H2,1H3,(H,26,29)(H,27,30)/b20-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic/2, mitochondrial/3 (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human 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
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096071 (5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCC(O)=O |w:14.16| Show InChI InChI=1S/C16H16O4/c1-10-11(6-4-5-9-14(17)18)16(20)13-8-3-2-7-12(13)15(10)19/h2-4,6-8,19-20H,5,9H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of Plasmodium falciparum Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396515 (CHEMBL2170945) Show SMILES CCCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C24H26FN3O2S/c1-2-11-28-12-5-7-18(28)15-26-23(29)17-9-10-21-20(13-17)27-24(30)22(31-21)14-16-6-3-4-8-19(16)25/h3-4,6,8-10,13-14,18H,2,5,7,11-12,15H2,1H3,(H,26,29)(H,27,30)/b22-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396522 (CHEMBL2170935) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-10-4-7-18(27)14-25-22(28)16-8-9-20-19(13-16)26-23(29)21(30-20)12-15-5-3-6-17(24)11-15/h3,5-6,8-9,11-13,18H,2,4,7,10,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396518 (CHEMBL2170939) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc4ccccc34)C(=O)Nc2c1 Show InChI InChI=1S/C27H27N3O2S/c1-2-30-14-6-10-21(30)17-28-26(31)20-12-13-24-23(15-20)29-27(32)25(33-24)16-19-9-5-8-18-7-3-4-11-22(18)19/h3-5,7-9,11-13,15-16,21H,2,6,10,14,17H2,1H3,(H,28,31)(H,29,32)/b25-16-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair

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