Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'austin' and Initial = 'se'   

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
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091160 (CHEMBL106127 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H24Cl3N2S/c1-29(2,16-17-8-10-19(26)20(27)14-17)13-5-12-28-21-6-3-4-7-23(21)30-24-11-9-18(25)15-22(24)28/h3-4,6-11,14-15H,5,12-13,16H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178811 (CHEMBL199020 | N-(3-aminopropyl)-4-tert-butyl-N,N-...) Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCN Show InChI InChI=1S/C15H27N2/c1-15(2,3)13-7-9-14(10-8-13)17(4,5)12-6-11-16/h7-10H,6,11-12,16H2,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178803 (3,4-dichloro-N-(3-(2-chloro-10H-phenothiazin-10-yl...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H22Cl3N2S/c1-28(2,17-9-10-18(25)19(26)15-17)13-5-12-27-20-6-3-4-7-22(20)29-23-11-8-16(24)14-21(23)27/h3-4,6-11,14-15H,5,12-13H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178803 (3,4-dichloro-N-(3-(2-chloro-10H-phenothiazin-10-yl...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H22Cl3N2S/c1-28(2,17-9-10-18(25)19(26)15-17)13-5-12-27-20-6-3-4-7-22(20)29-23-11-8-16(24)14-21(23)27/h3-4,6-11,14-15H,5,12-13H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091158 (CHEMBL322826 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1C Show InChI InChI=1S/C26H30ClN2S/c1-19-10-11-21(16-20(19)2)18-29(3,4)15-7-14-28-23-8-5-6-9-25(23)30-26-13-12-22(27)17-24(26)28/h5-6,8-13,16-17H,7,14-15,18H2,1-4H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091165 ((4-Benzyloxy-benzyl)-[3-(2-chloro-phenothiazin-10-...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C31H32ClN2OS/c1-34(2,22-24-13-16-27(17-14-24)35-23-25-9-4-3-5-10-25)20-8-19-33-28-11-6-7-12-30(28)36-31-18-15-26(32)21-29(31)33/h3-7,9-18,21H,8,19-20,22-23H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091148 (CHEMBL106769 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES COc1ccc2c(C[N+](C)(C)CCCN3c4ccccc4Sc4ccc(Cl)cc34)cc(=O)oc2c1 Show InChI InChI=1S/C28H28ClN2O3S/c1-31(2,18-19-15-28(32)34-25-17-21(33-3)10-11-22(19)25)14-6-13-30-23-7-4-5-8-26(23)35-27-12-9-20(29)16-24(27)30/h4-5,7-12,15-17H,6,13-14,18H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178809 (4-tert-butyl-N-(3-(2-chloro-10H-phenothiazin-10-yl...) Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C27H32ClN2S/c1-27(2,3)20-11-14-22(15-12-20)30(4,5)18-8-17-29-23-9-6-7-10-25(23)31-26-16-13-21(28)19-24(26)29/h6-7,9-16,19H,8,17-18H2,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091162 ((4-tert-Butyl-benzyl)-[3-(2-chloro-phenothiazin-10...) Show SMILES CC(C)(C)c1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C28H34ClN2S/c1-28(2,3)22-13-11-21(12-14-22)20-31(4,5)18-8-17-30-24-9-6-7-10-26(24)32-27-16-15-23(29)19-25(27)30/h6-7,9-16,19H,8,17-18,20H2,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091163 (Benzhydryl-[3-(2-chloro-phenothiazin-10-yl)-propyl...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H30ClN2S/c1-33(2,30(23-12-5-3-6-13-23)24-14-7-4-8-15-24)21-11-20-32-26-16-9-10-17-28(26)34-29-19-18-25(31)22-27(29)32/h3-10,12-19,22,30H,11,20-21H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091154 (CHEMBL106901 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES COc1cc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc(OC)c1 Show InChI InChI=1S/C26H30ClN2O2S/c1-29(2,18-19-14-21(30-3)17-22(15-19)31-4)13-7-12-28-23-8-5-6-9-25(23)32-26-11-10-20(27)16-24(26)28/h5-6,8-11,14-17H,7,12-13,18H2,1-4H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50019879 (CHEMBL279905 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C18H22ClN2S/c1-21(2,3)12-6-11-20-15-7-4-5-8-17(15)22-18-10-9-14(19)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091157 ((2-Adamantan-1-yl-2-oxo-ethyl)-[3-(2-chloro-phenot...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)CC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:27:28:32:25.26.31,THB:27:26:32:33.28.29,29:28:25:32.30.31,29:30:25:33.28.27| Show InChI InChI=1S/C29H36ClN2OS/c1-32(2,19-28(33)29-16-20-12-21(17-29)14-22(13-20)18-29)11-5-10-31-24-6-3-4-7-26(24)34-27-9-8-23(30)15-25(27)31/h3-4,6-9,15,20-22H,5,10-14,16-19H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091153 (Benzyl-[3-(2-chloro-phenothiazin-10-yl)-propyl]-di...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccccc1 Show InChI InChI=1S/C24H26ClN2S/c1-27(2,18-19-9-4-3-5-10-19)16-8-15-26-21-11-6-7-12-23(21)28-24-14-13-20(25)17-22(24)26/h3-7,9-14,17H,8,15-16,18H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091159 (CHEMBL326458 | [2-(4-Chloro-3-methyl-phenyl)-2-oxo...) Show SMILES Cc1cc(ccc1Cl)C(=O)C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C26H27Cl2N2OS/c1-18-15-19(9-11-21(18)28)24(31)17-30(2,3)14-6-13-29-22-7-4-5-8-25(22)32-26-12-10-20(27)16-23(26)29/h4-5,7-12,15-16H,6,13-14,17H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091156 ((4-Bromo-benzyl)-[3-(2-chloro-phenothiazin-10-yl)-...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Br)cc1 Show InChI InChI=1S/C24H25BrClN2S/c1-28(2,17-18-8-10-19(25)11-9-18)15-5-14-27-21-6-3-4-7-23(21)29-24-13-12-20(26)16-22(24)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091155 (CHEMBL323271 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H26ClN2S/c1-30(2,23-14-12-20-8-3-4-9-21(20)18-23)17-7-16-29-24-10-5-6-11-26(24)31-27-15-13-22(28)19-25(27)29/h3-6,8-15,18-19H,7,16-17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091164 (CHEMBL106236 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C24H21ClF5N2S/c1-32(2,13-15-20(26)22(28)24(30)23(29)21(15)27)11-5-10-31-16-6-3-4-7-18(16)33-19-9-8-14(25)12-17(19)31/h3-4,6-9,12H,5,10-11,13H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178807 (3,4-dichloro-N-(3-(5-chloro-2-(phenylthio)phenylam...) Show SMILES C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H24Cl3N2S/c1-28(2,18-10-11-20(25)21(26)16-18)14-6-13-27-22-15-17(24)9-12-23(22)29-19-7-4-3-5-8-19/h3-5,7-12,15-16,27H,6,13-14H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091149 ((4-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C24H25Cl2N2S/c1-28(2,17-18-8-10-19(25)11-9-18)15-5-14-27-21-6-3-4-7-23(21)29-24-13-12-20(26)16-22(24)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091150 (CHEMBL323540 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C25H28ClN2S/c1-19-9-11-20(12-10-19)18-28(2,3)16-6-15-27-22-7-4-5-8-24(22)29-25-14-13-21(26)17-23(25)27/h4-5,7-14,17H,6,15-16,18H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091152 (CHEMBL106108 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)CC1CCCCC1 Show InChI InChI=1S/C24H32ClN2S/c1-27(2,18-19-9-4-3-5-10-19)16-8-15-26-21-11-6-7-12-23(21)28-24-14-13-20(25)17-22(24)26/h6-7,11-14,17,19H,3-5,8-10,15-16,18H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091151 ((3-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1cccc(Cl)c1 Show InChI InChI=1S/C24H25Cl2N2S/c1-28(2,17-18-7-5-8-19(25)15-18)14-6-13-27-21-9-3-4-10-23(21)29-24-12-11-20(26)16-22(24)27/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178802 (4-tert-butyl-N-(3-(5-chloro-2-(phenylthio)phenylam...) Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCNc1cc(Cl)ccc1Sc1ccccc1 Show InChI InChI=1S/C27H34ClN2S/c1-27(2,3)21-12-15-23(16-13-21)30(4,5)19-9-18-29-25-20-22(28)14-17-26(25)31-24-10-7-6-8-11-24/h6-8,10-17,20,29H,9,18-19H2,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50369578 (CHEMBL239370) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H25ClN3O2S/c1-28(2,17-18-8-11-20(12-9-18)27(29)30)15-5-14-26-21-6-3-4-7-23(21)31-24-13-10-19(25)16-22(24)26/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178805 (CHEMBL436292 | N-benzhydryl-3-(5-chloro-2-(phenylt...) Show SMILES C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H32ClN2S/c1-33(2,30(24-13-6-3-7-14-24)25-15-8-4-9-16-25)22-12-21-32-28-23-26(31)19-20-29(28)34-27-17-10-5-11-18-27/h3-11,13-20,23,30,32H,12,21-22H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178802 (4-tert-butyl-N-(3-(5-chloro-2-(phenylthio)phenylam...) Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCNc1cc(Cl)ccc1Sc1ccccc1 Show InChI InChI=1S/C27H34ClN2S/c1-27(2,3)21-12-15-23(16-13-21)30(4,5)19-9-18-29-25-20-22(28)14-17-26(25)31-24-10-7-6-8-11-24/h6-8,10-17,20,29H,9,18-19H2,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178804 (4-(benzyloxy)-N-(3-(5-chloro-2-(phenylthio)phenyla...) Show SMILES C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C30H32ClN2OS/c1-33(2,26-15-17-27(18-16-26)34-23-24-10-5-3-6-11-24)21-9-20-32-29-22-25(31)14-19-30(29)35-28-12-7-4-8-13-28/h3-8,10-19,22,32H,9,20-21,23H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178810 (CHEMBL371088 | N-(5-chloro-2-(phenylthio)phenyl)bu...) Show SMILES CCCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1 Show InChI InChI=1S/C16H16ClNOS/c1-2-6-16(19)18-14-11-12(17)9-10-15(14)20-13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178814 (CHEMBL199067 | N-(3-(5-chloro-2-(phenylthio)phenyl...) Show SMILES C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H26ClN2S/c1-26(2,20-10-5-3-6-11-20)17-9-16-25-22-18-19(24)14-15-23(22)27-21-12-7-4-8-13-21/h3-8,10-15,18,25H,9,16-17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178808 (CHEMBL372379 | N-(5-chloro-2-(phenylthio)phenyl)pr...) Show SMILES CCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1 Show InChI InChI=1S/C15H14ClNOS/c1-2-15(18)17-13-10-11(16)8-9-14(13)19-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178801 (CHEMBL198590 | N-(5-chloro-2-(phenylthio)phenyl)be...) Show SMILES Clc1ccc(Sc2ccccc2)c(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C19H14ClNOS/c20-15-11-12-18(23-16-9-5-2-6-10-16)17(13-15)21-19(22)14-7-3-1-4-8-14/h1-13H,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178812 (CHEMBL197131 | N-(5-chloro-2-(phenylthio)phenyl)-2...) Show SMILES Clc1ccc(Sc2ccccc2)c(NC(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C20H16ClNOS/c21-16-11-12-19(24-17-9-5-2-6-10-17)18(14-16)22-20(23)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178806 (CHEMBL370195 | N-(5-chloro-2-(phenylthio)phenyl)-4...) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1 Show InChI InChI=1S/C19H13ClN2O3S/c20-14-8-11-18(26-16-4-2-1-3-5-16)17(12-14)21-19(23)13-6-9-15(10-7-13)22(24)25/h1-12H,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178809 (4-tert-butyl-N-(3-(2-chloro-10H-phenothiazin-10-yl...) Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C27H32ClN2S/c1-27(2,3)20-11-14-22(15-12-20)30(4,5)18-8-17-29-23-9-6-7-10-25(23)31-26-16-13-21(28)19-24(26)29/h6-7,9-16,19H,8,17-18H2,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178813 (2-amino-4-chloro-phenyl phenyl sulfide | CHEMBL197...) Show SMILES Nc1cc(Cl)ccc1Sc1ccccc1 Show InChI InChI=1S/C12H10ClNS/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50091152 (CHEMBL106108 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)CC1CCCCC1 Show InChI InChI=1S/C24H32ClN2S/c1-27(2,18-19-9-4-3-5-10-19)16-8-15-26-21-11-6-7-12-23(21)28-24-14-13-20(25)17-22(24)26/h6-7,11-14,17,19H,3-5,8-10,15-16,18H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Human Erythrocyte glutathione reductase (GR).				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50091149 ((4-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C24H25Cl2N2S/c1-28(2,17-18-8-10-19(25)11-9-18)15-5-14-27-21-6-3-4-7-23(21)29-24-13-12-20(26)16-22(24)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Human Erythrocyte glutathione reductase (GR).				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178811 (CHEMBL199020 | N-(3-aminopropyl)-4-tert-butyl-N,N-...) Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCN Show InChI InChI=1S/C15H27N2/c1-15(2,3)13-7-9-14(10-8-13)17(4,5)12-6-11-16/h7-10H,6,11-12,16H2,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity aganist trypanothione reductase from Trypanosoma cruzi using 0.12 mM TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091160 (CHEMBL106127 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H24Cl3N2S/c1-29(2,16-17-8-10-19(26)20(27)14-17)13-5-12-28-21-6-3-4-7-23(21)30-24-11-9-18(25)15-22(24)28/h3-4,6-11,14-15H,5,12-13,16H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091163 (Benzhydryl-[3-(2-chloro-phenothiazin-10-yl)-propyl...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H30ClN2S/c1-33(2,30(23-12-5-3-6-13-23)24-14-7-4-8-15-24)21-11-20-32-26-16-9-10-17-28(26)34-29-19-18-25(31)22-27(29)32/h3-10,12-19,22,30H,11,20-21H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091148 (CHEMBL106769 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES COc1ccc2c(C[N+](C)(C)CCCN3c4ccccc4Sc4ccc(Cl)cc34)cc(=O)oc2c1 Show InChI InChI=1S/C28H28ClN2O3S/c1-31(2,18-19-15-28(32)34-25-17-21(33-3)10-11-22(19)25)14-6-13-30-23-7-4-5-8-26(23)35-27-12-9-20(29)16-24(27)30/h4-5,7-12,15-17H,6,13-14,18H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091158 (CHEMBL322826 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1C Show InChI InChI=1S/C26H30ClN2S/c1-19-10-11-21(16-20(19)2)18-29(3,4)15-7-14-28-23-8-5-6-9-25(23)30-26-13-12-22(27)17-24(26)28/h5-6,8-13,16-17H,7,14-15,18H2,1-4H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091162 ((4-tert-Butyl-benzyl)-[3-(2-chloro-phenothiazin-10...) Show SMILES CC(C)(C)c1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C28H34ClN2S/c1-28(2,3)22-13-11-21(12-14-22)20-31(4,5)18-8-17-30-24-9-6-7-10-26(24)32-27-16-15-23(29)19-25(27)30/h6-7,9-16,19H,8,17-18,20H2,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091154 (CHEMBL106901 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES COc1cc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc(OC)c1 Show InChI InChI=1S/C26H30ClN2O2S/c1-29(2,18-19-14-21(30-3)17-22(15-19)31-4)13-7-12-28-23-8-5-6-9-25(23)32-26-11-10-20(27)16-24(26)28/h5-6,8-11,14-17H,7,12-13,18H2,1-4H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091151 ((3-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1cccc(Cl)c1 Show InChI InChI=1S/C24H25Cl2N2S/c1-28(2,17-18-7-5-8-19(25)15-18)14-6-13-27-21-9-3-4-10-23(21)29-24-12-11-20(26)16-22(24)27/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091153 (Benzyl-[3-(2-chloro-phenothiazin-10-yl)-propyl]-di...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccccc1 Show InChI InChI=1S/C24H26ClN2S/c1-27(2,18-19-9-4-3-5-10-19)16-8-15-26-21-11-6-7-12-23(21)28-24-14-13-20(25)17-22(24)26/h3-7,9-14,17H,8,15-16,18H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091159 (CHEMBL326458 | [2-(4-Chloro-3-methyl-phenyl)-2-oxo...) Show SMILES Cc1cc(ccc1Cl)C(=O)C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C26H27Cl2N2OS/c1-18-15-19(9-11-21(18)28)24(31)17-30(2,3)14-6-13-29-22-7-4-5-8-25(22)32-26-12-10-20(27)16-23(26)29/h4-5,7-12,15-16H,6,13-14,17H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091155 (CHEMBL323271 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H26ClN2S/c1-30(2,23-14-12-20-8-3-4-9-21(20)18-23)17-7-16-29-24-10-5-6-11-26(24)31-27-15-13-22(28)19-25(27)29/h3-6,8-15,18-19H,7,16-17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair

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