Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'alphey' and Initial = 'ms'   

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 brucei brucei)	BDBM50354279 (CHEMBL1836603) Show SMILES CN(C)CCCN1C(c2ccc(C)cc2)c2cc(Cl)ccc2N=C1C |c:24| Show InChI InChI=1S/C21H26ClN3/c1-15-6-8-17(9-7-15)21-19-14-18(22)10-11-20(19)23-16(2)25(21)13-5-12-24(3)4/h6-11,14,21H,5,12-13H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354268 (CHEMBL1836570) Show SMILES CN(C)CC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1 |c:29| Show InChI InChI=1S/C25H32ClN5O/c1-19-27-23-10-9-21(26)17-22(23)25(20-7-5-4-6-8-20)31(19)16-13-29-11-14-30(15-12-29)24(32)18-28(2)3/h4-10,17,25H,11-16,18H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354299 (CHEMBL1836378) Show SMILES CN1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1 |c:24| Show InChI InChI=1S/C22H27ClN4/c1-17-24-21-9-8-19(23)16-20(21)22(18-6-4-3-5-7-18)27(17)15-14-26-12-10-25(2)11-13-26/h3-9,16,22H,10-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354257 (CHEMBL1836559) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCNC(=O)c1ccco1)c1ccccc1 |t:1| Show InChI InChI=1S/C22H20ClN3O2/c1-15-25-19-10-9-17(23)14-18(19)21(16-6-3-2-4-7-16)26(15)12-11-24-22(27)20-8-5-13-28-20/h2-10,13-14,21H,11-12H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354279 (CHEMBL1836603) Show SMILES CN(C)CCCN1C(c2ccc(C)cc2)c2cc(Cl)ccc2N=C1C |c:24| Show InChI InChI=1S/C21H26ClN3/c1-15-6-8-17(9-7-15)21-19-14-18(22)10-11-20(19)23-16(2)25(21)13-5-12-24(3)4/h6-11,14,21H,5,12-13H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354268 (CHEMBL1836570) Show SMILES CN(C)CC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1 |c:29| Show InChI InChI=1S/C25H32ClN5O/c1-19-27-23-10-9-21(26)17-22(23)25(20-7-5-4-6-8-20)31(19)16-13-29-11-14-30(15-12-29)24(32)18-28(2)3/h4-10,17,25H,11-16,18H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354257 (CHEMBL1836559) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCNC(=O)c1ccco1)c1ccccc1 |t:1| Show InChI InChI=1S/C22H20ClN3O2/c1-15-25-19-10-9-17(23)14-18(19)21(16-6-3-2-4-7-16)26(15)12-11-24-22(27)20-8-5-13-28-20/h2-10,13-14,21H,11-12H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (Pseudomonas aeruginosa)	BDBM93083 (Analogue of 1a, 8a) Show SMILES CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H18N4O4S/c1-21(27(25,26)14-10-6-3-7-11-14)15-16(19)22(18(24)20-17(15)23)12-13-8-4-2-5-9-13/h2-11H,12,19H2,1H3,(H,20,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews					Assay Description Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).				ACS Chem Biol 8: 387-96 (2013) Article DOI: 10.1021/cb300426u BindingDB Entry DOI: 10.7270/Q26D5RMP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (Pseudomonas aeruginosa)	BDBM93086 (Analogue of 1a, 8b) Show SMILES CCN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H20N4O4S/c1-2-23(28(26,27)15-11-7-4-8-12-15)16-17(20)22(19(25)21-18(16)24)13-14-9-5-3-6-10-14/h3-12H,2,13,20H2,1H3,(H,21,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews					Assay Description Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).				ACS Chem Biol 8: 387-96 (2013) Article DOI: 10.1021/cb300426u BindingDB Entry DOI: 10.7270/Q26D5RMP
					More data for this Ligand-Target Pair
Glucose-1-phosphate thymidylyltransferase (Pseudomonas aeruginosa)	BDBM93093 (Analogue of 1a, 8t) Show SMILES CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccco1 Show InChI InChI=1S/C16H16N4O5S/c1-19(26(23,24)12-8-5-9-25-12)13-14(17)20(16(22)18-15(13)21)10-11-6-3-2-4-7-11/h2-9H,10,17H2,1H3,(H,18,21,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews					Assay Description Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).				ACS Chem Biol 8: 387-96 (2013) Article DOI: 10.1021/cb300426u BindingDB Entry DOI: 10.7270/Q26D5RMP
					More data for this Ligand-Target Pair
Glucose-1-phosphate thymidylyltransferase (Pseudomonas aeruginosa)	BDBM93090 (Analogue of 1a, 8j) Show SMILES CCCCS(=O)(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C16H22N4O4S/c1-3-4-10-25(23,24)19(2)13-14(17)20(16(22)18-15(13)21)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11,17H2,1-2H3,(H,18,21,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews					Assay Description Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).				ACS Chem Biol 8: 387-96 (2013) Article DOI: 10.1021/cb300426u BindingDB Entry DOI: 10.7270/Q26D5RMP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (Pseudomonas aeruginosa)	BDBM93091 (Analogue of 1a, 8k) Show SMILES CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4O4S/c1-22(28(26,27)14-9-7-13(19)8-10-14)15-16(20)23(18(25)21-17(15)24)11-12-5-3-2-4-6-12/h2-10H,11,20H2,1H3,(H,21,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews					Assay Description Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).				ACS Chem Biol 8: 387-96 (2013) Article DOI: 10.1021/cb300426u BindingDB Entry DOI: 10.7270/Q26D5RMP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (Pseudomonas aeruginosa)	BDBM93080 (Analogue of 1a, 1) Show SMILES CCCCn1c(N)c(N(C)S(=O)(=O)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C15H20N4O4S/c1-3-4-10-19-13(16)12(14(20)17-15(19)21)18(2)24(22,23)11-8-6-5-7-9-11/h5-9H,3-4,10,16H2,1-2H3,(H,17,20,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews					Assay Description Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).				ACS Chem Biol 8: 387-96 (2013) Article DOI: 10.1021/cb300426u BindingDB Entry DOI: 10.7270/Q26D5RMP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354279 (CHEMBL1836603) Show SMILES CN(C)CCCN1C(c2ccc(C)cc2)c2cc(Cl)ccc2N=C1C |c:24| Show InChI InChI=1S/C21H26ClN3/c1-15-6-8-17(9-7-15)21-19-14-18(22)10-11-20(19)23-16(2)25(21)13-5-12-24(3)4/h6-11,14,21H,5,12-13H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354332 (CHEMBL1836574) Show SMILES CC1=Nc2ccc(I)cc2C(N1CCN1CCCCC1)c1ccccc1 |t:1| Show InChI InChI=1S/C22H26IN3/c1-17-24-21-11-10-19(23)16-20(21)22(18-8-4-2-5-9-18)26(17)15-14-25-12-6-3-7-13-25/h2,4-5,8-11,16,22H,3,6-7,12-15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354268 (CHEMBL1836570) Show SMILES CN(C)CC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1 |c:29| Show InChI InChI=1S/C25H32ClN5O/c1-19-27-23-10-9-21(26)17-22(23)25(20-7-5-4-6-8-20)31(19)16-13-29-11-14-30(15-12-29)24(32)18-28(2)3/h4-10,17,25H,11-16,18H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Glucose-1-phosphate thymidylyltransferase (Pseudomonas aeruginosa)	BDBM93092 (Analogue of 1a, 8p) Show SMILES CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1cccc(C)c1 Show InChI InChI=1S/C19H20N4O4S/c1-13-7-6-10-15(11-13)28(26,27)22(2)16-17(20)23(19(25)21-18(16)24)12-14-8-4-3-5-9-14/h3-11H,12,20H2,1-2H3,(H,21,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	387	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews					Assay Description Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).				ACS Chem Biol 8: 387-96 (2013) Article DOI: 10.1021/cb300426u BindingDB Entry DOI: 10.7270/Q26D5RMP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354265 (CHEMBL1836567) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCN(CC1)C(=O)c1ccco1)c1ccccc1 |t:1| Show InChI InChI=1S/C26H27ClN4O2/c1-19-28-23-10-9-21(27)18-22(23)25(20-6-3-2-4-7-20)31(19)16-13-29-11-14-30(15-12-29)26(32)24-8-5-17-33-24/h2-10,17-18,25H,11-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354290 (CHEMBL1836615) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1ccc(C)cc1 |t:1| Show InChI InChI=1S/C23H28ClN3/c1-17-6-8-19(9-7-17)23-21-16-20(24)10-11-22(21)25-18(2)27(23)15-14-26-12-4-3-5-13-26/h6-11,16,23H,3-5,12-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354287 (CHEMBL1836611) Show SMILES CC1=Nc2ccc(Cl)cc2C(O)(N1CCN1CCCCC1)c1ccc(C)cc1 |t:1| Show InChI InChI=1S/C23H28ClN3O/c1-17-6-8-19(9-7-17)23(28)21-16-20(24)10-11-22(21)25-18(2)27(23)15-14-26-12-4-3-5-13-26/h6-11,16,28H,3-5,12-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354333 (CHEMBL1836612) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1ccc(Cl)cc1 |t:1| Show InChI InChI=1S/C22H25Cl2N3/c1-16-25-21-10-9-19(24)15-20(21)22(17-5-7-18(23)8-6-17)27(16)14-13-26-11-3-2-4-12-26/h5-10,15,22H,2-4,11-14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354269 (CHEMBL1836571) Show SMILES CC1=Nc2ccccc2C(N1CCN1CCCCC1)c1ccccc1 |t:1| Show InChI InChI=1S/C22H27N3/c1-18-23-21-13-7-6-12-20(21)22(19-10-4-2-5-11-19)25(18)17-16-24-14-8-3-9-15-24/h2,4-7,10-13,22H,3,8-9,14-17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354274 (CHEMBL1836577) Show SMILES CC1=Nc2ccc(cc2C(N1CCN1CCCCC1)c1ccccc1)-c1ccsc1 |t:1| Show InChI InChI=1S/C26H29N3S/c1-20-27-25-11-10-22(23-12-17-30-19-23)18-24(25)26(21-8-4-2-5-9-21)29(20)16-15-28-13-6-3-7-14-28/h2,4-5,8-12,17-19,26H,3,6-7,13-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354270 (CHEMBL1836572) Show SMILES CC1=Nc2ccc(Br)cc2C(N1CCN1CCCCC1)c1ccccc1 |t:1| Show InChI InChI=1S/C22H26BrN3/c1-17-24-21-11-10-19(23)16-20(21)22(18-8-4-2-5-9-18)26(17)15-14-25-12-6-3-7-13-25/h2,4-5,8-11,16,22H,3,6-7,12-15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354317 (CHEMBL1836371) Show SMILES CN(C)c1cccc(CN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)c1 |c:26| Show InChI InChI=1S/C24H24ClN3/c1-17-26-23-13-12-20(25)15-22(23)24(19-9-5-4-6-10-19)28(17)16-18-8-7-11-21(14-18)27(2)3/h4-15,24H,16H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354260 (CHEMBL1836562) Show SMILES CN(C)CC(=O)NCCN1C(c2ccccc2)c2cc(Cl)ccc2N=C1C |c:26| Show InChI InChI=1S/C21H25ClN4O/c1-15-24-19-10-9-17(22)13-18(19)21(16-7-5-4-6-8-16)26(15)12-11-23-20(27)14-25(2)3/h4-10,13,21H,11-12,14H2,1-3H3,(H,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354257 (CHEMBL1836559) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCNC(=O)c1ccco1)c1ccccc1 |t:1| Show InChI InChI=1S/C22H20ClN3O2/c1-15-25-19-10-9-17(23)14-18(19)21(16-6-3-2-4-7-16)26(15)12-11-24-22(27)20-8-5-13-28-20/h2-10,13-14,21H,11-12H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354281 (CHEMBL1836606) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1cccc(F)c1 |t:1| Show InChI InChI=1S/C22H25ClFN3/c1-16-25-21-9-8-18(23)15-20(21)22(17-6-5-7-19(24)14-17)27(16)13-12-26-10-3-2-4-11-26/h5-9,14-15,22H,2-4,10-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD 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 Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354311 (CHEMBL1836365) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1Cc1ccccc1)c1ccccc1 |t:1| Show InChI InChI=1S/C22H19ClN2/c1-16-24-21-13-12-19(23)14-20(21)22(18-10-6-3-7-11-18)25(16)15-17-8-4-2-5-9-17/h2-14,22H,15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354299 (CHEMBL1836378) Show SMILES CN1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1 |c:24| Show InChI InChI=1S/C22H27ClN4/c1-17-24-21-9-8-19(23)16-20(21)22(18-6-4-3-5-7-18)27(17)15-14-26-12-10-25(2)11-13-26/h3-9,16,22H,10-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354314 (CHEMBL1836368) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1Cc1ccccc1F)c1ccccc1 |t:1| Show InChI InChI=1S/C22H18ClFN2/c1-15-25-21-12-11-18(23)13-19(21)22(16-7-3-2-4-8-16)26(15)14-17-9-5-6-10-20(17)24/h2-13,22H,14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354325 (CHEMBL1836380) Show SMILES CN(C)CCCN1C(c2ccccc2)c2cc(Cl)ccc2N=C1C |c:23| Show InChI InChI=1S/C20H24ClN3/c1-15-22-19-11-10-17(21)14-18(19)20(16-8-5-4-6-9-16)24(15)13-7-12-23(2)3/h4-6,8-11,14,20H,7,12-13H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354313 (CHEMBL1836367) Show SMILES COc1ccccc1CN1C(c2ccccc2)c2cc(Cl)ccc2N=C1C |c:27| Show InChI InChI=1S/C23H21ClN2O/c1-16-25-21-13-12-19(24)14-20(21)23(17-8-4-3-5-9-17)26(16)15-18-10-6-7-11-22(18)27-2/h3-14,23H,15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Glucose-1-phosphate thymidylyltransferase (Pseudomonas aeruginosa)	BDBM93081 (Analogue of 1a, 2) Show SMILES Nc1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H11N3O3/c12-8-9(15)13-11(17)14(10(8)16)6-7-4-2-1-3-5-7/h1-5,16H,6,12H2,(H,13,15,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews					Assay Description Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).				ACS Chem Biol 8: 387-96 (2013) Article DOI: 10.1021/cb300426u BindingDB Entry DOI: 10.7270/Q26D5RMP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354291 (CHEMBL1836616) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1cccc(Cl)c1 |t:1| Show InChI InChI=1S/C22H25Cl2N3/c1-16-25-21-9-8-19(24)15-20(21)22(17-6-5-7-18(23)14-17)27(16)13-12-26-10-3-2-4-11-26/h5-9,14-15,22H,2-4,10-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354321 (CHEMBL1836375) Show SMILES CCN1C(c2ccccc2)c2cc(Cl)ccc2N=C1C |c:19| Show InChI InChI=1S/C17H17ClN2/c1-3-20-12(2)19-16-10-9-14(18)11-15(16)17(20)13-7-5-4-6-8-13/h4-11,17H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354259 (CHEMBL1836561) Show SMILES COCC(=O)NCCN1C(c2ccccc2)c2cc(Cl)ccc2N=C1C |c:25| Show InChI InChI=1S/C20H22ClN3O2/c1-14-23-18-9-8-16(21)12-17(18)20(15-6-4-3-5-7-15)24(14)11-10-22-19(25)13-26-2/h3-9,12,20H,10-11,13H2,1-2H3,(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354283 (CHEMBL1836604) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1ccc(Cl)c(Cl)c1 |t:1| Show InChI InChI=1S/C22H24Cl3N3/c1-15-26-21-8-6-17(23)14-18(21)22(16-5-7-19(24)20(25)13-16)28(15)12-11-27-9-3-2-4-10-27/h5-8,13-14,22H,2-4,9-12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354318 (CHEMBL1836372) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1Cc1ccc(C)cc1)c1ccccc1 |t:1| Show InChI InChI=1S/C23H21ClN2/c1-16-8-10-18(11-9-16)15-26-17(2)25-22-13-12-20(24)14-21(22)23(26)19-6-4-3-5-7-19/h3-14,23H,15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354273 (CHEMBL1836573) Show SMILES CC1=Nc2ccc(cc2C(N1CCN1CCCCC1)c1ccccc1)-c1ccco1 |t:1| Show InChI InChI=1S/C26H29N3O/c1-20-27-24-13-12-22(25-11-8-18-30-25)19-23(24)26(21-9-4-2-5-10-21)29(20)17-16-28-14-6-3-7-15-28/h2,4-5,8-13,18-19,26H,3,6-7,14-17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Glucose-1-phosphate thymidylyltransferase (Pseudomonas aeruginosa)	BDBM93085 (Analogue of 1a, 15a) Show SMILES Nc1c(NS(=O)(=O)c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C17H16N4O4S/c18-15-14(20-26(24,25)13-9-5-2-6-10-13)16(22)19-17(23)21(15)11-12-7-3-1-4-8-12/h1-10,20H,11,18H2,(H,19,22,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews					Assay Description Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).				ACS Chem Biol 8: 387-96 (2013) Article DOI: 10.1021/cb300426u BindingDB Entry DOI: 10.7270/Q26D5RMP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354261 (CHEMBL1836563) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1 |t:1| Show InChI InChI=1S/C26H33ClN4O2/c1-19-28-23-11-10-21(27)18-22(23)24(20-8-6-5-7-9-20)31(19)17-14-29-12-15-30(16-13-29)25(32)33-26(2,3)4/h5-11,18,24H,12-17H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354316 (CHEMBL1836370) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1Cc1cccc(c1)C(F)(F)F)c1ccccc1 |t:1| Show InChI InChI=1S/C23H18ClF3N2/c1-15-28-21-11-10-19(24)13-20(21)22(17-7-3-2-4-8-17)29(15)14-16-6-5-9-18(12-16)23(25,26)27/h2-13,22H,14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354289 (CHEMBL1836614) Show SMILES COc1ccc(cc1)C1N(CCN2CCCCC2)C(C)=Nc2ccc(Cl)cc12 |c:21| Show InChI InChI=1S/C23H28ClN3O/c1-17-25-22-11-8-19(24)16-21(22)23(18-6-9-20(28-2)10-7-18)27(17)15-14-26-12-4-3-5-13-26/h6-11,16,23H,3-5,12-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354263 (CHEMBL1836565) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCN(CC1)C(=O)C1CC1)c1ccccc1 |t:1| Show InChI InChI=1S/C25H29ClN4O/c1-18-27-23-10-9-21(26)17-22(23)24(19-5-3-2-4-6-19)30(18)16-13-28-11-14-29(15-12-28)25(31)20-7-8-20/h2-6,9-10,17,20,24H,7-8,11-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354267 (CHEMBL1836569) Show SMILES COCC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1 |c:28| Show InChI InChI=1S/C24H29ClN4O2/c1-18-26-22-9-8-20(25)16-21(22)24(19-6-4-3-5-7-19)29(18)15-12-27-10-13-28(14-11-27)23(30)17-31-2/h3-9,16,24H,10-15,17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354296 (CHEMBL1836621) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1cccc(O)c1 |t:1| Show InChI InChI=1S/C22H26ClN3O/c1-16-24-21-9-8-18(23)15-20(21)22(17-6-5-7-19(27)14-17)26(16)13-12-25-10-3-2-4-11-25/h5-9,14-15,22,27H,2-4,10-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354264 (CHEMBL1836566) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |t:1| Show InChI InChI=1S/C28H29ClN4O/c1-21-30-26-13-12-24(29)20-25(26)27(22-8-4-2-5-9-22)33(21)19-16-31-14-17-32(18-15-31)28(34)23-10-6-3-7-11-23/h2-13,20,27H,14-19H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354327 (CHEMBL1836382) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCO)c1ccccc1 |t:1| Show InChI InChI=1S/C17H17ClN2O/c1-12-19-16-8-7-14(18)11-15(16)17(20(12)9-10-21)13-5-3-2-4-6-13/h2-8,11,17,21H,9-10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354262 (CHEMBL1836564) Show SMILES CC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1 |c:26| Show InChI InChI=1S/C23H27ClN4O/c1-17-25-22-9-8-20(24)16-21(22)23(19-6-4-3-5-7-19)28(17)15-12-26-10-13-27(14-11-26)18(2)29/h3-9,16,23H,10-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair

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