Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'kerr' and Initial = 'id'   

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
Cruzipain (Trypanosoma cruzi)	BDBM50306596 (3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pen...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1 |r| Show InChI InChI=1S/C31H35F4N5O2/c1-5-6-9-25(26(41)18-42-30-28(34)22(32)14-23(33)29(30)35)40-17-27(38-39-40)31(4,15-19(2)3)37-16-20-10-11-24-21(13-20)8-7-12-36-24/h7-8,10-14,17,19,25,37H,5-6,9,15-16,18H2,1-4H3/t25?,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306600 (3-(4-((S)-1-cyclopentyl-1-(quinolin-6-ylmethylamin...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCC1 |r| Show InChI InChI=1S/C32H35F4N5O2/c1-3-4-11-26(27(42)19-43-31-29(35)23(33)16-24(34)30(31)36)41-18-28(39-40-41)32(2,22-9-5-6-10-22)38-17-20-12-13-25-21(15-20)8-7-14-37-25/h7-8,12-16,18,22,26,38H,3-6,9-11,17,19H2,1-2H3/t26?,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306598 (3-(4-((S)-1-cyclobutyl-1-(quinolin-6-ylmethylamino...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCC1 |r| Show InChI InChI=1S/C31H33F4N5O2/c1-3-4-10-25(26(41)18-42-30-28(34)22(32)15-23(33)29(30)35)40-17-27(38-39-40)31(2,21-8-5-9-21)37-16-19-11-12-24-20(14-19)7-6-13-36-24/h6-7,11-15,17,21,25,37H,3-5,8-10,16,18H2,1-2H3/t25?,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306597 (3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pen...) Show SMILES CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1 |r| Show InChI InChI=1S/C29H31F4N5O2/c1-5-23(24(39)16-40-28-26(32)20(30)12-21(31)27(28)33)38-15-25(36-37-38)29(4,13-17(2)3)35-14-18-8-9-22-19(11-18)7-6-10-34-22/h6-12,15,17,23,35H,5,13-14,16H2,1-4H3/t23?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311245 ((S)-4-methyl-2-phenyl-N-(5-phenyl-1-(phenylsulfony...) Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26N2O3S2/c1-21-26(34-28(29-21)23-13-7-3-8-14-23)27(31)30-24(18-17-22-11-5-2-6-12-22)19-20-35(32,33)25-15-9-4-10-16-25/h2-16,19-20,24H,17-18H2,1H3,(H,30,31)/b20-19+/t24-/m0/s1	PDB MMDB UniProtKB/TrEMBL 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 California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306599 (3-(4-((S)-1-cyclobutyl-1-(quinolin-6-ylmethylamino...) Show SMILES CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCC1 |r| Show InChI InChI=1S/C29H29F4N5O2/c1-3-23(24(39)16-40-28-26(32)20(30)13-21(31)27(28)33)38-15-25(36-37-38)29(2,19-7-4-8-19)35-14-17-9-10-22-18(12-17)6-5-11-34-22/h5-6,9-13,15,19,23,35H,3-4,7-8,14,16H2,1-2H3/t23?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306592 (3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r| Show InChI InChI=1S/C30H33F4N5O2/c1-5-6-9-24(25(40)17-41-29-27(33)21(31)14-22(32)28(29)34)39-16-26(37-38-39)30(4,18(2)3)36-15-19-10-11-23-20(13-19)8-7-12-35-23/h7-8,10-14,16,18,24,36H,5-6,9,15,17H2,1-4H3/t24?,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306595 (3-(4-((S)-1-cyclopropyl-1-(quinolin-6-ylmethylamin...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CC1 |r| Show InChI InChI=1S/C30H31F4N5O2/c1-3-4-7-24(25(40)17-41-29-27(33)21(31)14-22(32)28(29)34)39-16-26(37-38-39)30(2,20-9-10-20)36-15-18-8-11-23-19(13-18)6-5-12-35-23/h5-6,8,11-14,16,20,24,36H,3-4,7,9-10,15,17H2,1-2H3/t24?,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306593 (3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...) Show SMILES CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r| Show InChI InChI=1S/C28H29F4N5O2/c1-5-22(23(38)15-39-27-25(31)19(29)12-20(30)26(27)32)37-14-24(35-36-37)28(4,16(2)3)34-13-17-8-9-21-18(11-17)7-6-10-33-21/h6-12,14,16,22,34H,5,13,15H2,1-4H3/t22?,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306601 (3-(4-((S)-1-cyclohexyl-1-(quinolin-6-ylmethylamino...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCCC1 |r| Show InChI InChI=1S/C33H37F4N5O2/c1-3-4-12-27(28(43)20-44-32-30(36)24(34)17-25(35)31(32)37)42-19-29(40-41-42)33(2,23-10-6-5-7-11-23)39-18-21-13-14-26-22(16-21)9-8-15-38-26/h8-9,13-17,19,23,27,39H,3-7,10-12,18,20H2,1-2H3/t27?,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306594 (3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...) Show SMILES CC(C)[C@](C)(NCc1ccc2ncccc2c1)c1cn(nn1)C(C)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C27H27F4N5O2/c1-15(2)27(4,33-12-17-7-8-21-18(10-17)6-5-9-32-21)23-13-36(35-34-23)16(3)22(37)14-38-26-24(30)19(28)11-20(29)25(26)31/h5-11,13,15-16,33H,12,14H2,1-4H3/t16?,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229129 (4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50229129 (4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311247 ((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...) Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cnccn1 |r| Show InChI InChI=1S/C26H24N4O3S2/c1-19-24(34-26(29-19)23-18-27-15-16-28-23)25(31)30-21(13-12-20-8-4-2-5-9-20)14-17-35(32,33)22-10-6-3-7-11-22/h2-11,14-18,21H,12-13H2,1H3,(H,30,31)/b17-14+/t21-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311250 ((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1cccnc1 |r| Show InChI InChI=1S/C26H23N3O4S/c30-26(25-18-24(29-33-25)21-10-7-16-27-19-21)28-22(14-13-20-8-3-1-4-9-20)15-17-34(31,32)23-11-5-2-6-12-23/h1-12,15-19,22H,13-14H2,(H,28,30)/b17-15+/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311248 ((S)-3-phenyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccc1 |r| Show InChI InChI=1S/C27H24N2O4S/c30-27(26-20-25(29-33-26)22-12-6-2-7-13-22)28-23(17-16-21-10-4-1-5-11-21)18-19-34(31,32)24-14-8-3-9-15-24/h1-15,18-20,23H,16-17H2,(H,28,30)/b19-18+/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311246 ((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...) Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cccnc1 |r| Show InChI InChI=1S/C27H25N3O3S2/c1-20-25(34-27(29-20)22-11-8-17-28-19-22)26(31)30-23(15-14-21-9-4-2-5-10-21)16-18-35(32,33)24-12-6-3-7-13-24/h2-13,16-19,23H,14-15H2,1H3,(H,30,31)/b18-16+/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311251 ((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccn1 |r| Show InChI InChI=1S/C26H23N3O4S/c30-26(25-19-24(29-33-25)23-13-7-8-17-27-23)28-21(15-14-20-9-3-1-4-10-20)16-18-34(31,32)22-11-5-2-6-12-22/h1-13,16-19,21H,14-15H2,(H,28,30)/b18-16+/t21-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311249 ((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccncc1 |r| Show InChI InChI=1S/C26H23N3O4S/c30-26(25-19-24(29-33-25)21-13-16-27-17-14-21)28-22(12-11-20-7-3-1-4-8-20)15-18-34(31,32)23-9-5-2-6-10-23/h1-10,13-19,22H,11-12H2,(H,28,30)/b18-15+/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50311252 ((1R,2R)-2-(4-chlorobenzoyl)-N-((S)-5-phenyl-1-(phe...) Show SMILES Clc1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31| Show InChI InChI=1S/C31H32ClNO4S/c32-25-18-16-24(17-19-25)30(34)28-13-7-8-14-29(28)31(35)33-26(20-15-23-9-3-1-4-10-23)21-22-38(36,37)27-11-5-2-6-12-27/h1-6,9-12,16-19,21-22,26,28-29H,7-8,13-15,20H2,(H,33,35)/t26-,28+,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311252 ((1R,2R)-2-(4-chlorobenzoyl)-N-((S)-5-phenyl-1-(phe...) Show SMILES Clc1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31| Show InChI InChI=1S/C31H32ClNO4S/c32-25-18-16-24(17-19-25)30(34)28-13-7-8-14-29(28)31(35)33-26(20-15-23-9-3-1-4-10-23)21-22-38(36,37)27-11-5-2-6-12-27/h1-6,9-12,16-19,21-22,26,28-29H,7-8,13-15,20H2,(H,33,35)/t26-,28+,29+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50311247 ((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...) Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cnccn1 |r| Show InChI InChI=1S/C26H24N4O3S2/c1-19-24(34-26(29-19)23-18-27-15-16-28-23)25(31)30-21(13-12-20-8-4-2-5-9-20)14-17-35(32,33)22-10-6-3-7-11-22/h2-11,14-18,21H,12-13H2,1H3,(H,30,31)/b17-14+/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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 California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50311250 ((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1cccnc1 |r| Show InChI InChI=1S/C26H23N3O4S/c30-26(25-18-24(29-33-25)21-10-7-16-27-19-21)28-22(14-13-20-8-3-1-4-9-20)15-17-34(31,32)23-11-5-2-6-12-23/h1-12,15-19,22H,13-14H2,(H,28,30)/b17-15+/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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 California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50311248 ((S)-3-phenyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccc1 |r| Show InChI InChI=1S/C27H24N2O4S/c30-27(26-20-25(29-33-26)22-12-6-2-7-13-22)28-23(17-16-21-10-4-1-5-11-21)18-19-34(31,32)24-14-8-3-9-15-24/h1-15,18-20,23H,16-17H2,(H,28,30)/b19-18+/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50311246 ((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...) Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cccnc1 |r| Show InChI InChI=1S/C27H25N3O3S2/c1-20-25(34-27(29-20)22-11-8-17-28-19-22)26(31)30-23(15-14-21-9-4-2-5-10-21)16-18-35(32,33)24-12-6-3-7-13-24/h2-13,16-19,23H,14-15H2,1H3,(H,30,31)/b18-16+/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM50229129 (4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50311249 ((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccncc1 |r| Show InChI InChI=1S/C26H23N3O4S/c30-26(25-19-24(29-33-25)21-13-16-27-17-14-21)28-22(12-11-20-7-3-1-4-8-20)15-18-34(31,32)23-9-5-2-6-10-23/h1-10,13-19,22H,11-12H2,(H,28,30)/b18-15+/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50311251 ((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccn1 |r| Show InChI InChI=1S/C26H23N3O4S/c30-26(25-19-24(29-33-25)23-13-7-8-17-27-23)28-21(15-14-20-9-3-1-4-10-20)16-18-34(31,32)22-11-5-2-6-12-22/h1-13,16-19,21H,14-15H2,(H,28,30)/b18-16+/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50378552 (CHEMBL291324) Show SMILES Nc1nc(N)c(N=O)c(=O)[nH]1 Show InChI InChI=1S/C4H5N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins				J Med Chem 53: 166-77 (2010) Article DOI: 10.1021/jm900861d BindingDB Entry DOI: 10.7270/Q2125TMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50311245 ((S)-4-methyl-2-phenyl-N-(5-phenyl-1-(phenylsulfony...) Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26N2O3S2/c1-21-26(34-28(29-21)23-13-7-3-8-14-23)27(31)30-24(18-17-22-11-5-2-6-12-22)19-20-35(32,33)25-15-9-4-10-16-25/h2-16,19-20,24H,17-18H2,1H3,(H,30,31)/b20-19+/t24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM50311252 ((1R,2R)-2-(4-chlorobenzoyl)-N-((S)-5-phenyl-1-(phe...) Show SMILES Clc1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31| Show InChI InChI=1S/C31H32ClNO4S/c32-25-18-16-24(17-19-25)30(34)28-13-7-8-14-29(28)31(35)33-26(20-15-23-9-3-1-4-10-23)21-22-38(36,37)27-11-5-2-6-12-27/h1-6,9-12,16-19,21-22,26,28-29H,7-8,13-15,20H2,(H,33,35)/t26-,28+,29+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50378553 (CHEMBL161604) Show SMILES Nc1nc(NCCCOc2ccc(cc2)C(O)=O)c(N=O)c(=O)[nH]1 Show InChI InChI=1S/C14H15N5O5/c15-14-17-11(10(19-23)12(20)18-14)16-6-1-7-24-9-4-2-8(3-5-9)13(21)22/h2-5H,1,6-7H2,(H,21,22)(H4,15,16,17,18,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins				J Med Chem 53: 166-77 (2010) Article DOI: 10.1021/jm900861d BindingDB Entry DOI: 10.7270/Q2125TMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydropteroate synthase (Bacillus anthracis)	BDBM50378551 (CHEMBL568630) Show SMILES CC(C(O)=O)c1nn(C)c2nc(N)[nH]c(=O)c2c1=O Show InChI InChI=1S/C10H11N5O4/c1-3(9(18)19)5-6(16)4-7(15(2)14-5)12-10(11)13-8(4)17/h3H,1-2H3,(H,18,19)(H3,11,12,13,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins				J Med Chem 53: 166-77 (2010) Article DOI: 10.1021/jm900861d BindingDB Entry DOI: 10.7270/Q2125TMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydropteroate synthase (Bacillus anthracis)	BDBM50378560 (CHEMBL566065) Show SMILES Nc1nc2NCC(CCNc3ccc(cc3)C(O)=O)=Nc2c(=O)[nH]1 |c:19| Show InChI InChI=1S/C15H16N6O3/c16-15-20-12-11(13(22)21-15)19-10(7-18-12)5-6-17-9-3-1-8(2-4-9)14(23)24/h1-4,17H,5-7H2,(H,23,24)(H4,16,18,20,21,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins				J Med Chem 53: 166-77 (2010) Article DOI: 10.1021/jm900861d BindingDB Entry DOI: 10.7270/Q2125TMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydropteroate synthase (Bacillus anthracis)	BDBM50378554 (CHEMBL577547) Show SMILES CN1CC(=Nc2c1nc(N)[nH]c2=O)C(O)=O |c:3| Show InChI InChI=1S/C8H9N5O3/c1-13-2-3(7(15)16)10-4-5(13)11-8(9)12-6(4)14/h2H2,1H3,(H,15,16)(H3,9,11,12,14)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins				J Med Chem 53: 166-77 (2010) Article DOI: 10.1021/jm900861d BindingDB Entry DOI: 10.7270/Q2125TMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM50311248 ((S)-3-phenyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccc1 |r| Show InChI InChI=1S/C27H24N2O4S/c30-27(26-20-25(29-33-26)22-12-6-2-7-13-22)28-23(17-16-21-10-4-1-5-11-21)18-19-34(31,32)24-14-8-3-9-15-24/h1-15,18-20,23H,16-17H2,(H,28,30)/b19-18+/t23-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311253 ((1S,2S)-2-(4-chlorobenzoyl)-N-((S,E)-5-phenyl-1-(p...) Show SMILES Clc1ccc(cc1)C(=O)[C@H]1CCCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31| Show InChI InChI=1S/C31H32ClNO4S/c32-25-18-16-24(17-19-25)30(34)28-13-7-8-14-29(28)31(35)33-26(20-15-23-9-3-1-4-10-23)21-22-38(36,37)27-11-5-2-6-12-27/h1-6,9-12,16-19,21-22,26,28-29H,7-8,13-15,20H2,(H,33,35)/t26-,28-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50378557 (CHEMBL577755) Show SMILES CN1CC=Nc2c1nc(N)[nH]c2=O |c:3| Show InChI InChI=1S/C7H9N5O/c1-12-3-2-9-4-5(12)10-7(8)11-6(4)13/h2H,3H2,1H3,(H3,8,10,11,13)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins				J Med Chem 53: 166-77 (2010) Article DOI: 10.1021/jm900861d BindingDB Entry DOI: 10.7270/Q2125TMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydropteroate synthase (Bacillus anthracis)	BDBM50378561 (CHEMBL576455) Show SMILES Nc1nc2ncc(CCNc3ccc(cc3)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C15H14N6O3/c16-15-20-12-11(13(22)21-15)19-10(7-18-12)5-6-17-9-3-1-8(2-4-9)14(23)24/h1-4,7,17H,5-6H2,(H,23,24)(H3,16,18,20,21,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem	MMDB Article PubMed	n/a	n/a	8.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins				J Med Chem 53: 166-77 (2010) Article DOI: 10.1021/jm900861d BindingDB Entry DOI: 10.7270/Q2125TMH
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM50311245 ((S)-4-methyl-2-phenyl-N-(5-phenyl-1-(phenylsulfony...) Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26N2O3S2/c1-21-26(34-28(29-21)23-13-7-3-8-14-23)27(31)30-24(18-17-22-11-5-2-6-12-22)19-20-35(32,33)25-15-9-4-10-16-25/h2-16,19-20,24H,17-18H2,1H3,(H,30,31)/b20-19+/t24-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50311253 ((1S,2S)-2-(4-chlorobenzoyl)-N-((S,E)-5-phenyl-1-(p...) Show SMILES Clc1ccc(cc1)C(=O)[C@H]1CCCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31| Show InChI InChI=1S/C31H32ClNO4S/c32-25-18-16-24(17-19-25)30(34)28-13-7-8-14-29(28)31(35)33-26(20-15-23-9-3-1-4-10-23)21-22-38(36,37)27-11-5-2-6-12-27/h1-6,9-12,16-19,21-22,26,28-29H,7-8,13-15,20H2,(H,33,35)/t26-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM50311246 ((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...) Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cccnc1 |r| Show InChI InChI=1S/C27H25N3O3S2/c1-20-25(34-27(29-20)22-11-8-17-28-19-22)26(31)30-23(15-14-21-9-4-2-5-10-21)16-18-35(32,33)24-12-6-3-7-13-24/h2-13,16-19,23H,14-15H2,1H3,(H,30,31)/b18-16+/t23-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM50311247 ((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...) Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cnccn1 |r| Show InChI InChI=1S/C26H24N4O3S2/c1-19-24(34-26(29-19)23-18-27-15-16-28-23)25(31)30-21(13-12-20-8-4-2-5-9-20)14-17-35(32,33)22-10-6-3-7-11-22/h2-11,14-18,21H,12-13H2,1H3,(H,30,31)/b17-14+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM50311249 ((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccncc1 |r| Show InChI InChI=1S/C26H23N3O4S/c30-26(25-19-24(29-33-25)21-13-16-27-17-14-21)28-22(12-11-20-7-3-1-4-8-20)15-18-34(31,32)23-9-5-2-6-10-23/h1-10,13-19,22H,11-12H2,(H,28,30)/b18-15+/t22-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM50311253 ((1S,2S)-2-(4-chlorobenzoyl)-N-((S,E)-5-phenyl-1-(p...) Show SMILES Clc1ccc(cc1)C(=O)[C@H]1CCCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31| Show InChI InChI=1S/C31H32ClNO4S/c32-25-18-16-24(17-19-25)30(34)28-13-7-8-14-29(28)31(35)33-26(20-15-23-9-3-1-4-10-23)21-22-38(36,37)27-11-5-2-6-12-27/h1-6,9-12,16-19,21-22,26,28-29H,7-8,13-15,20H2,(H,33,35)/t26-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM50311251 ((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccn1 |r| Show InChI InChI=1S/C26H23N3O4S/c30-26(25-19-24(29-33-25)23-13-7-8-17-27-23)28-21(15-14-20-9-3-1-4-10-20)16-18-34(31,32)22-11-5-2-6-12-22/h1-13,16-19,21H,14-15H2,(H,28,30)/b18-16+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM50311250 ((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1cccnc1 |r| Show InChI InChI=1S/C26H23N3O4S/c30-26(25-18-24(29-33-25)21-10-7-16-27-19-21)28-22(14-13-20-8-3-1-4-9-20)15-17-34(31,32)23-11-5-2-6-12-23/h1-12,15-19,22H,13-14H2,(H,28,30)/b17-15+/t22-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50378555 (CHEMBL571066) Show SMILES Nc1nc(N)c([N+]([O-])=O)c(=O)[nH]1 Show InChI InChI=1S/C4H5N5O3/c5-2-1(9(11)12)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins				J Med Chem 53: 166-77 (2010) Article DOI: 10.1021/jm900861d BindingDB Entry DOI: 10.7270/Q2125TMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydropteroate synthase (Bacillus anthracis)	BDBM50378559 (CHEMBL344471) Show SMILES CC1CNc2nc(N)[nH]c(=O)c2N1 Show InChI InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins				J Med Chem 53: 166-77 (2010) Article DOI: 10.1021/jm900861d BindingDB Entry DOI: 10.7270/Q2125TMH
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50378558 (CHEMBL578135) Show SMILES CN1CC(CC(C)(C)O)=Nc2c1nc(N)[nH]c2=O |c:8| Show InChI InChI=1S/C11H17N5O2/c1-11(2,18)4-6-5-16(3)8-7(13-6)9(17)15-10(12)14-8/h18H,4-5H2,1-3H3,(H3,12,14,15,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins				J Med Chem 53: 166-77 (2010) Article DOI: 10.1021/jm900861d BindingDB Entry DOI: 10.7270/Q2125TMH
					More data for this Ligand-Target Pair				3D Structure (crystal)

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