Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'o''sullivan' and Initial = 'mc'   

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)	BDBM50096495 (CHEMBL85161 | N-{3-[Bis-(3-phenyl-propyl)-amino]-p...) Show SMILES C(CCN(CCCN(CCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1)CN(CCCNCCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C55H76N4/c1-6-25-51(26-7-1)35-18-40-56-41-23-48-57(44-19-36-52-27-8-2-9-28-52)42-16-17-43-58(45-20-37-53-29-10-3-11-30-53)49-24-50-59(46-21-38-54-31-12-4-13-32-54)47-22-39-55-33-14-5-15-34-55/h1-15,25-34,56H,16-24,35-50H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50103373 (CHEMBL3398189) Show SMILES NCCCN(CCCCN(CCCN)C1c2ccccc2CCc2ccccc12)C1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C40H50N4/c41-25-11-29-43(39-35-17-5-1-13-31(35)21-22-32-14-2-6-18-36(32)39)27-9-10-28-44(30-12-26-42)40-37-19-7-3-15-33(37)23-24-34-16-4-8-20-38(34)40/h1-8,13-20,39-40H,9-12,21-30,41-42H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096500 (CHEMBL86281 | N,N'-Bis-(3-phenyl-propyl)-N,N'-bis-...) Show SMILES C(CCN(CCCNCCCc1ccccc1)CCCc1ccccc1)CN(CCCNCCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C46H66N4/c1-5-21-43(22-6-1)29-15-33-47-35-19-41-49(39-17-31-45-25-9-3-10-26-45)37-13-14-38-50(40-18-32-46-27-11-4-12-28-46)42-20-36-48-34-16-30-44-23-7-2-8-24-44/h1-12,21-28,47-48H,13-20,29-42H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	614	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096491 (CHEMBL85189 | N-(3-Amino-propyl)-N,N'-bis-(3-pheny...) Show SMILES NCCCN(CCCCN(CCCNCCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C37H56N4/c38-26-15-33-40(31-13-24-36-19-6-2-7-20-36)29-10-11-30-41(32-14-25-37-21-8-3-9-22-37)34-16-28-39-27-12-23-35-17-4-1-5-18-35/h1-9,17-22,39H,10-16,23-34,38H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096496 (CHEMBL62048 | N,N'-Bis-(3-amino-propyl)-N,N'-bis-(...) Show SMILES NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C28H46N4/c29-19-11-25-31(23-9-17-27-13-3-1-4-14-27)21-7-8-22-32(26-12-20-30)24-10-18-28-15-5-2-6-16-28/h1-6,13-16H,7-12,17-26,29-30H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096493 (CHEMBL82641 | N,N'-Bis-(3-phenyl-propyl)-N-[3-(3-p...) Show SMILES C(CCN(CCCNCCCc1ccccc1)CCCc1ccccc1)CNCCCc1ccccc1 Show InChI InChI=1S/C34H49N3/c1-4-16-32(17-5-1)22-12-26-35-25-10-11-29-37(30-14-24-34-20-8-3-9-21-34)31-15-28-36-27-13-23-33-18-6-2-7-19-33/h1-9,16-21,35-36H,10-15,22-31H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096496 (CHEMBL62048 | N,N'-Bis-(3-amino-propyl)-N,N'-bis-(...) Show SMILES NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C28H46N4/c29-19-11-25-31(23-9-17-27-13-3-1-4-14-27)21-7-8-22-32(26-12-20-30)24-10-18-28-15-5-2-6-16-28/h1-6,13-16H,7-12,17-26,29-30H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 5: 1957-1960 (1995) Article DOI: 10.1016/0960-894X(95)00331-M BindingDB Entry DOI: 10.7270/Q2TD9XB8
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096492 (CHEMBL84221 | N-{3-[Bis-(3-phenyl-propyl)-amino]-p...) Show SMILES C(CCNCCCN(CCCc1ccccc1)CCCc1ccccc1)CNCCCNCCCc1ccccc1 Show InChI InChI=1S/C37H56N4/c1-4-17-35(18-5-1)23-12-28-40-30-15-29-38-26-10-11-27-39-31-16-34-41(32-13-24-36-19-6-2-7-20-36)33-14-25-37-21-8-3-9-22-37/h1-9,17-22,38-40H,10-16,23-34H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50103372 (CHEMBL378650) Show SMILES NCCCCN(CCCN)C1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C22H31N3/c23-14-5-6-16-25(17-7-15-24)22-20-10-3-1-8-18(20)12-13-19-9-2-4-11-21(19)22/h1-4,8-11,22H,5-7,12-17,23-24H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096501 (CHEMBL85198 | N*1*-(3-Phenyl-propyl)-N*1*-[3-(3-ph...) Show SMILES NCCCCN(CCCNCCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C25H39N3/c26-18-7-8-21-28(22-10-17-25-14-5-2-6-15-25)23-11-20-27-19-9-16-24-12-3-1-4-13-24/h1-6,12-15,27H,7-11,16-23,26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50184768 (CHEMBL61691 | N,N'-Bis-(3-amino-propyl)-N,N'-bis-n...) Show SMILES NCCCN(CCCCN(CCCN)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C32H42N4/c33-17-7-21-35(25-27-13-15-29-9-1-3-11-31(29)23-27)19-5-6-20-36(22-8-18-34)26-28-14-16-30-10-2-4-12-32(30)24-28/h1-4,9-16,23-24H,5-8,17-22,25-26,33-34H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 5: 1957-1960 (1995) Article DOI: 10.1016/0960-894X(95)00331-M BindingDB Entry DOI: 10.7270/Q2TD9XB8
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM77970 (3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM77970 (3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 5: 1957-1960 (1995) Article DOI: 10.1016/0960-894X(95)00331-M BindingDB Entry DOI: 10.7270/Q2TD9XB8
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50103371 (CHEMBL3398188) Show SMILES NCCCN(CCCN)C1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C21H29N3/c22-13-5-15-24(16-6-14-23)21-19-9-3-1-7-17(19)11-12-18-8-2-4-10-20(18)21/h1-4,7-10,21H,5-6,11-16,22-23H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50285025 (CHEMBL305575 | N-Naphthalen-2-ylmethyl-N'-{3-[(nap...) Show SMILES C(CCNCc1ccc2ccccc2c1)CNCCCNCc1ccc2ccccc2c1 Show InChI InChI=1S/C29H35N3/c1-3-10-28-20-24(12-14-26(28)8-1)22-31-17-6-5-16-30-18-7-19-32-23-25-13-15-27-9-2-4-11-29(27)21-25/h1-4,8-15,20-21,30-32H,5-7,16-19,22-23H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 5: 1957-1960 (1995) Article DOI: 10.1016/0960-894X(95)00331-M BindingDB Entry DOI: 10.7270/Q2TD9XB8
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096494 (CHEMBL310207 | N,N'-Bis-{3-[bis-(3-phenyl-propyl)-...) Show SMILES C(CCN(CCCN(CCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1)CN(CCCN(CCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C64H86N4/c1-7-29-59(30-8-1)41-21-49-65(55-27-57-67(51-23-43-61-33-11-3-12-34-61)52-24-44-62-35-13-4-14-36-62)47-19-20-48-66(50-22-42-60-31-9-2-10-32-60)56-28-58-68(53-25-45-63-37-15-5-16-38-63)54-26-46-64-39-17-6-18-40-64/h1-18,29-40H,19-28,41-58H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096498 (CHEMBL86096 | N,N'-Bis-[3-(3-phenyl-propylamino)-p...) Show SMILES C(CCNCCCNCCCc1ccccc1)CNCCCNCCCc1ccccc1 Show InChI InChI=1S/C28H46N4/c1-3-13-27(14-4-1)17-9-21-31-25-11-23-29-19-7-8-20-30-24-12-26-32-22-10-18-28-15-5-2-6-16-28/h1-6,13-16,29-32H,7-12,17-26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096499 (CHEMBL85964 | N*1*-(3-Amino-propyl)-N*1*-(3-phenyl...) Show SMILES NCCCCN(CCCN)CCCc1ccccc1 Show InChI InChI=1S/C16H29N3/c17-11-4-5-13-19(15-7-12-18)14-6-10-16-8-2-1-3-9-16/h1-3,8-9H,4-7,10-15,17-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50184779 (4, 9-DB-3-4-3 | CHEMBL58084 | N,N'-Bis-(3-amino-pr...) Show SMILES NCCCN(CCCCN(CCCN)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C24H38N4/c25-15-9-19-27(21-23-11-3-1-4-12-23)17-7-8-18-28(20-10-16-26)22-24-13-5-2-6-14-24/h1-6,11-14H,7-10,15-22,25-26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 5: 1957-1960 (1995) Article DOI: 10.1016/0960-894X(95)00331-M BindingDB Entry DOI: 10.7270/Q2TD9XB8
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50103370 (CHEMBL3398187) Show SMILES NCCN(CCN)C1c2ccccc2CCc2cccnc12 Show InChI InChI=1S/C18H24N4/c19-9-12-22(13-10-20)18-16-6-2-1-4-14(16)7-8-15-5-3-11-21-17(15)18/h1-6,11,18H,7-10,12-13,19-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096497 (CHEMBL85779 | N-(3-Amino-propyl)-N'-[3-(3-phenyl-p...) Show SMILES NCCCNCCCCNCCCNCCCc1ccccc1 Show InChI InChI=1S/C19H36N4/c20-12-7-16-21-13-4-5-14-22-17-8-18-23-15-6-11-19-9-2-1-3-10-19/h1-3,9-10,21-23H,4-8,11-18,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50103369 (CHEMBL3398186) Show SMILES CN(C)CCCNC1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C20H26N2/c1-22(2)15-7-14-21-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11,20-21H,7,12-15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
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Trypanothione reductase (Trypanosoma cruzi)	BDBM50184783 (CHEMBL298628 | N*1*-(3-Amino-propyl)-N*1*-naphthal...) Show SMILES NCCCCN(CCCN)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C18H27N3/c19-10-3-4-12-21(13-5-11-20)15-16-8-9-17-6-1-2-7-18(17)14-16/h1-2,6-9,14H,3-5,10-13,15,19-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 5: 1957-1960 (1995) Article DOI: 10.1016/0960-894X(95)00331-M BindingDB Entry DOI: 10.7270/Q2TD9XB8
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50103368 (CHEMBL332939) Show SMILES CN(C)CCNC1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-21(2)14-13-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10,19-20H,11-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50184788 ((4-Amino-butyl)-(3-amino-propyl)-carbamic acid ben...) Show SMILES NCCCCN(CCCN)C(=O)OCc1ccccc1 Show InChI InChI=1S/C15H25N3O2/c16-9-4-5-11-18(12-6-10-17)15(19)20-13-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13,16-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 5: 1957-1960 (1995) Article DOI: 10.1016/0960-894X(95)00331-M BindingDB Entry DOI: 10.7270/Q2TD9XB8
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50184771 (1N-[3-(4-phenylcarboxamidobutylamino)propyl]benzam...) Show SMILES O=C(NCCCCNCCCNC(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H27N3O2/c25-20(18-10-3-1-4-11-18)23-16-8-7-14-22-15-9-17-24-21(26)19-12-5-2-6-13-19/h1-6,10-13,22H,7-9,14-17H2,(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 5: 1957-1960 (1995) Article DOI: 10.1016/0960-894X(95)00331-M BindingDB Entry DOI: 10.7270/Q2TD9XB8
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM77970 (3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei brucei strain S427 trypanothione reductase assessed as reduction of trypanothione disulphide by 412 nm a...				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair