Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'berecibar' and Initial = 'a'   

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)	BDBM50070270 (CHEMBL279374 | Pentanedioic acid bis-[(3-{4-bromo-...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)Nc3cccc(Sc4ccc(Br)cc4NC(=O)CCN4CCN(C)CC4)c3)c2)CC1 Show InChI InChI=1S/C45H54Br2N8O4S2/c1-52-20-24-54(25-21-52)18-16-44(58)50-38-28-32(46)12-14-40(38)60-36-8-3-6-34(30-36)48-42(56)10-5-11-43(57)49-35-7-4-9-37(31-35)61-41-15-13-33(47)29-39(41)51-45(59)17-19-55-26-22-53(2)23-27-55/h3-4,6-9,12-15,28-31H,5,10-11,16-27H2,1-2H3,(H,48,56)(H,49,57)(H,50,58)(H,51,59)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070275 (CHEMBL17665 | Heptanedioic acid [3-(2-amino-phenyl...) Show SMILES CN1CCN(CCC(=O)Nc2ccccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4N)c3)c2)CC1 Show InChI InChI=1S/C39H46N6O3S2/c1-44-23-25-45(26-24-44)22-21-39(48)43-34-16-6-8-18-36(34)50-32-14-10-12-30(28-32)42-38(47)20-4-2-3-19-37(46)41-29-11-9-13-31(27-29)49-35-17-7-5-15-33(35)40/h5-18,27-28H,2-4,19-26,40H2,1H3,(H,41,46)(H,42,47)(H,43,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070268 (CHEMBL276829 | Heptanedioic acid (3-{4-bromo-2-[3-...) Show SMILES CN(C)Cc1ccc(Nc2ccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccc(Br)cc4NC(=O)CCN4CCN(C)CC4)c3)c3C(=O)c4ccccc4C(=O)c23)cc1 Show InChI InChI=1S/C50H54BrN7O5S/c1-56(2)32-33-16-19-35(20-17-33)52-40-21-22-41(48-47(40)49(62)38-12-7-8-13-39(38)50(48)63)54-45(60)15-6-4-5-14-44(59)53-36-10-9-11-37(31-36)64-43-23-18-34(51)30-42(43)55-46(61)24-25-58-28-26-57(3)27-29-58/h7-13,16-23,30-31,52H,4-6,14-15,24-29,32H2,1-3H3,(H,53,59)(H,54,60)(H,55,61)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070282 (CHEMBL279108 | Heptanedioic acid (3-{4-bromo-2-[3-...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3)c2)CC1 Show InChI InChI=1S/C33H40BrN5O3S/c1-38-19-21-39(22-20-38)18-17-33(42)37-29-23-25(34)15-16-30(29)43-28-12-8-11-27(24-28)36-32(41)14-7-3-6-13-31(40)35-26-9-4-2-5-10-26/h2,4-5,8-12,15-16,23-24H,3,6-7,13-14,17-22H2,1H3,(H,35,40)(H,36,41)(H,37,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070273 (CHEMBL17190 | Heptanedioic acid [3-(2-amino-phenyl...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4N)c3)c2)CC1 Show InChI InChI=1S/C39H45BrN6O3S2/c1-45-21-23-46(24-22-45)20-19-39(49)44-34-25-28(40)17-18-36(34)51-32-12-8-10-30(27-32)43-38(48)16-4-2-3-15-37(47)42-29-9-7-11-31(26-29)50-35-14-6-5-13-33(35)41/h5-14,17-18,25-27H,2-4,15-16,19-24,41H2,1H3,(H,42,47)(H,43,48)(H,44,49)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070277 (CHEMBL17800 | Pentanedioic acid (3-{4-bromo-2-[3-(...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCCc3ccccc3)c2)CC1 Show InChI InChI=1S/C33H40BrN5O3S/c1-38-19-21-39(22-20-38)18-16-33(42)37-29-23-26(34)13-14-30(29)43-28-10-5-9-27(24-28)36-32(41)12-6-11-31(40)35-17-15-25-7-3-2-4-8-25/h2-5,7-10,13-14,23-24H,6,11-12,15-22H2,1H3,(H,35,40)(H,36,41)(H,37,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070266 (CHEMBL17968 | Pentanedioic acid (3-{4-bromo-2-[3-(...) Show SMILES CCCCCCCNC(=O)CCCC(=O)Nc1cccc(Sc2ccc(Br)cc2NC(=O)CCN2CCN(C)CC2)c1 Show InChI InChI=1S/C32H46BrN5O3S/c1-3-4-5-6-7-17-34-30(39)12-9-13-31(40)35-26-10-8-11-27(24-26)42-29-15-14-25(33)23-28(29)36-32(41)16-18-38-21-19-37(2)20-22-38/h8,10-11,14-15,23-24H,3-7,9,12-13,16-22H2,1-2H3,(H,34,39)(H,35,40)(H,36,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070279 (CHEMBL280230 | Pentanedioic acid (3-{4-bromo-2-[3-...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccc4ccccc4c3)c2)CC1 Show InChI InChI=1S/C36H40BrN5O3S/c1-41-18-20-42(21-19-41)17-16-36(45)40-32-23-29(37)14-15-33(32)46-31-9-4-8-30(24-31)39-35(44)11-5-10-34(43)38-25-26-12-13-27-6-2-3-7-28(27)22-26/h2-4,6-9,12-15,22-24H,5,10-11,16-21,25H2,1H3,(H,38,43)(H,39,44)(H,40,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070281 (CHEMBL279832 | Pentanedioic acid benzhydryl-amide ...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NC(c3ccccc3)c3ccccc3)c2)CC1 Show InChI InChI=1S/C38H42BrN5O3S/c1-43-22-24-44(25-23-43)21-20-37(47)41-33-26-30(39)18-19-34(33)48-32-15-8-14-31(27-32)40-35(45)16-9-17-36(46)42-38(28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-8,10-15,18-19,26-27,38H,9,16-17,20-25H2,1H3,(H,40,45)(H,41,47)(H,42,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070285 (CHEMBL278203 | Pentanedioic acid (benzo[1,3]dioxol...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccc4OCOc4c3)c2)CC1 Show InChI InChI=1S/C33H38BrN5O5S/c1-38-14-16-39(17-15-38)13-12-33(42)37-27-19-24(34)9-11-30(27)45-26-5-2-4-25(20-26)36-32(41)7-3-6-31(40)35-21-23-8-10-28-29(18-23)44-22-43-28/h2,4-5,8-11,18-20H,3,6-7,12-17,21-22H2,1H3,(H,35,40)(H,36,41)(H,37,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070272 (CHEMBL17706 | Pentanedioic acid benzylamide (3-{4-...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccccc3)c2)CC1 Show InChI InChI=1S/C32H38BrN5O3S/c1-37-17-19-38(20-18-37)16-15-32(41)36-28-21-25(33)13-14-29(28)42-27-10-5-9-26(22-27)35-31(40)12-6-11-30(39)34-23-24-7-3-2-4-8-24/h2-5,7-10,13-14,21-22H,6,11-12,15-20,23H2,1H3,(H,34,39)(H,35,40)(H,36,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070280 (6-(3-{4-Bromo-2-[3-(4-methyl-piperazin-1-yl)-propi...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)OCC3=C(Br)C(=O)c4ccccc4C3=O)c2)CC1 |c:36| Show InChI InChI=1S/C38H40Br2N4O6S/c1-43-18-20-44(21-19-43)17-16-34(46)42-31-22-25(39)14-15-32(31)51-27-9-7-8-26(23-27)41-33(45)12-3-2-4-13-35(47)50-24-30-36(40)38(49)29-11-6-5-10-28(29)37(30)48/h5-11,14-15,22-23H,2-4,12-13,16-21,24H2,1H3,(H,41,45)(H,42,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070278 (CHEMBL279833 | Pentanedioic acid (3-{4-bromo-2-[3-...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCC3CCCCC3)c2)CC1 Show InChI InChI=1S/C32H44BrN5O3S/c1-37-17-19-38(20-18-37)16-15-32(41)36-28-21-25(33)13-14-29(28)42-27-10-5-9-26(22-27)35-31(40)12-6-11-30(39)34-23-24-7-3-2-4-8-24/h5,9-10,13-14,21-22,24H,2-4,6-8,11-12,15-20,23H2,1H3,(H,34,39)(H,35,40)(H,36,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070284 (CHEMBL278029 | Pentanedioic acid (3-{4-bromo-2-[3-...) Show SMILES CCN(CC)C(=O)CCCC(=O)Nc1cccc(Sc2ccc(Br)cc2NC(=O)CCN2CCN(C)CC2)c1 Show InChI InChI=1S/C29H40BrN5O3S/c1-4-35(5-2)29(38)11-7-10-27(36)31-23-8-6-9-24(21-23)39-26-13-12-22(30)20-25(26)32-28(37)14-15-34-18-16-33(3)17-19-34/h6,8-9,12-13,20-21H,4-5,7,10-11,14-19H2,1-3H3,(H,31,36)(H,32,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070283 (CHEMBL273318 | Heptanedioic acid (4-amino-9,10-dio...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3ccc(N)c4C(=O)c5ccccc5C(=O)c34)c2)CC1 Show InChI InChI=1S/C41H43BrN6O5S/c1-47-20-22-48(23-21-47)19-18-37(51)46-33-24-26(42)14-17-34(33)54-28-9-7-8-27(25-28)44-35(49)12-3-2-4-13-36(50)45-32-16-15-31(43)38-39(32)41(53)30-11-6-5-10-29(30)40(38)52/h5-11,14-17,24-25H,2-4,12-13,18-23,43H2,1H3,(H,44,49)(H,45,50)(H,46,51)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070276 (CHEMBL17182 | Pentanedioic acid (3-{4-bromo-2-[3-(...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCC3CCCO3)c2)CC1 Show InChI InChI=1S/C30H40BrN5O4S/c1-35-14-16-36(17-15-35)13-12-30(39)34-26-19-22(31)10-11-27(26)41-25-7-2-5-23(20-25)33-29(38)9-3-8-28(37)32-21-24-6-4-18-40-24/h2,5,7,10-11,19-20,24H,3-4,6,8-9,12-18,21H2,1H3,(H,32,37)(H,33,38)(H,34,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070274 (CHEMBL17312 | Pentanedioic acid (adamantan-1-ylmet...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c2)CC1 |THB:41:33:39.38.40:36,41:39:33.42.34:36| Show InChI InChI=1S/C36H48BrN5O3S/c1-41-12-14-42(15-13-41)11-10-35(45)40-31-19-28(37)8-9-32(31)46-30-5-2-4-29(20-30)39-34(44)7-3-6-33(43)38-24-36-21-25-16-26(22-36)18-27(17-25)23-36/h2,4-5,8-9,19-20,25-27H,3,6-7,10-18,21-24H2,1H3,(H,38,43)(H,39,44)(H,40,45)/t25-,26+,27-,36?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070271 (CHEMBL17546 | Pentanedioic acid (3-{4-bromo-2-[3-(...) Show SMILES CCCCCCCCCCCCCCCCNC(=O)CCCC(=O)Nc1cccc(Sc2ccc(Br)cc2NC(=O)CCN2CCN(C)CC2)c1 Show InChI InChI=1S/C41H64BrN5O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-43-39(48)21-18-22-40(49)44-35-19-17-20-36(33-35)51-38-24-23-34(42)32-37(38)45-41(50)25-27-47-30-28-46(2)29-31-47/h17,19-20,23-24,32-33H,3-16,18,21-22,25-31H2,1-2H3,(H,43,48)(H,44,49)(H,45,50)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070269 (CHEMBL17208 | Heptanedioic acid (3-{4-bromo-2-[3-(...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4[N+]([O-])=O)c3)c2)CC1 Show InChI InChI=1S/C39H43BrN6O5S2/c1-44-21-23-45(24-22-44)20-19-39(49)43-33-25-28(40)17-18-35(33)52-31-11-7-9-29(26-31)41-37(47)15-3-2-4-16-38(48)42-30-10-8-12-32(27-30)53-36-14-6-5-13-34(36)46(50)51/h5-14,17-18,25-27H,2-4,15-16,19-24H2,1H3,(H,41,47)(H,42,48)(H,43,49)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070267 (CHEMBL18070 | Pentanedioic acid (3-{4-bromo-2-[3-(...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccccn3)c2)CC1 Show InChI InChI=1S/C31H37BrN6O3S/c1-37-16-18-38(19-17-37)15-13-31(41)36-27-20-23(32)11-12-28(27)42-26-8-4-7-24(21-26)35-30(40)10-5-9-29(39)34-22-25-6-2-3-14-33-25/h2-4,6-8,11-12,14,20-21H,5,9-10,13,15-19,22H2,1H3,(H,34,39)(H,35,40)(H,36,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair