Found 546 hits with Last Name = 'ferreira' and Initial = 'rs' 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 |
|---|
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
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| CHEMBL
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PC sid
UniChem
Similars
| | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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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
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| | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM31992
(Dipeptidyl nitrile inhibitor, 25)Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r| Show InChI InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1 | PDB
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| | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50554308
(CHEMBL4761511)Show SMILES CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)NC1(CC1)C#N |r| | PDB
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| PC cid
PC sid
UniChem
| | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50007619
(CHEMBL3233083)Show InChI InChI=1S/C17H16IN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21) | PDB
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| | 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50554305
(CHEMBL4776795)Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)C(C)(C)C |r| | PDB
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| PC cid
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UniChem
| | 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50554307
(CHEMBL4784502)Show SMILES CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)NCC#N |r| | PDB
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| PC cid
PC sid
UniChem
| | 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50554304
(CHEMBL4752430)Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N)C(C)(C)C |r| | PDB
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| PC cid
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| | 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50322737
(2-(2-chloro-5-(trifluoromethyl)phenylamino)-2-oxo-...)Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)C(OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C24H18ClF3N2O4/c25-18-12-11-17(24(26,27)28)13-19(18)30-23(33)21(15-7-3-1-4-8-15)34-20(31)14-29-22(32)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,29,32)(H,30,33) | PDB
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| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay |
J Med Chem 53: 4891-905 (2010)
Article DOI: 10.1021/jm100488w
BindingDB Entry DOI: 10.7270/Q2BG2P68 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50007630
(CHEMBL3233095)Show SMILES Brc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C21H18BrN3O2/c22-21-15-6-2-1-5-14(15)9-10-18(21)27-13-20(26)23-12-11-19-24-16-7-3-4-8-17(16)25-19/h1-10H,11-13H2,(H,23,26)(H,24,25) | PDB
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| | 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50007630
(CHEMBL3233095)Show SMILES Brc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C21H18BrN3O2/c22-21-15-6-2-1-5-14(15)9-10-18(21)27-13-20(26)23-12-11-19-24-16-7-3-4-8-17(16)25-19/h1-10H,11-13H2,(H,23,26)(H,24,25) | PDB
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| Article
PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de S£o Paulo
Curated by ChEMBL
| Assay Description
Competitive inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate by Lineweaver-Burk plot analys... |
J Med Chem 57: 2380-92 (2014)
Article DOI: 10.1021/jm401709b
BindingDB Entry DOI: 10.7270/Q2GT5PPC |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50303409
(4-amino-6-(diphenylamino)-1,3,5-triazine-2-carboni...)Show InChI InChI=1S/C16H12N6/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H2,18,19,20,21) | PDB
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PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant Trypanosoma cruzi cruzain by Lineweaver-Burk plot analysis |
J Med Chem 53: 52-60 (2010)
Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50554296
(CHEMBL4799785)Show SMILES Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)cc1 |r| | PDB
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| | 199 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50007620
(CHEMBL3233084)Show InChI InChI=1S/C18H16N4O2/c19-11-13-5-1-4-8-16(13)24-12-18(23)20-10-9-17-21-14-6-2-3-7-15(14)22-17/h1-8H,9-10,12H2,(H,20,23)(H,21,22) | PDB
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| | 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM31970
(Dipeptidyl nitrile inhibitor, 1)Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C18H16ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h1-8,11,16H,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1 | PDB
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| PC cid
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| | 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50502835
(CHEMBL4463665)Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c21-14-20(11-12-20)23-19(25)17(13-15-7-3-1-4-8-15)22-18(24)16-9-5-2-6-10-16/h1-10,17H,11-13H2,(H,22,24)(H,23,25)/t17-/m0/s1 | PDB
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| PC cid
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| | 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50611831
(CHEMBL5285296) | PDB
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| UniChem
| | 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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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
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| CHEMBL
PC cid
PC sid
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| 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 | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50007617
(CHEMBL3233081)Show InChI InChI=1S/C17H16FN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21) | PDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50611830
(CHEMBL5269694) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| UniChem
| | 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM20119
((2S)-N-(cyanomethyl)-3-phenyl-2-(phenylformamido)p...)Show SMILES O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C18H17N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1 | PDB
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| | 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50322741
(2-(3-chloro-4-methoxyphenylamino)-2-oxoethyl 2-(1,...)Show SMILES COc1ccc(NC(=O)COC(=O)C(CC(C)C)N2C(=O)C3CC=CCC3C2=O)cc1Cl |c:23| Show InChI InChI=1S/C23H27ClN2O6/c1-13(2)10-18(26-21(28)15-6-4-5-7-16(15)22(26)29)23(30)32-12-20(27)25-14-8-9-19(31-3)17(24)11-14/h4-5,8-9,11,13,15-16,18H,6-7,10,12H2,1-3H3,(H,25,27) | PDB
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PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay |
J Med Chem 53: 4891-905 (2010)
Article DOI: 10.1021/jm100488w
BindingDB Entry DOI: 10.7270/Q2BG2P68 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50397142
(CHEMBL2172005)Show SMILES COc1ccc(cc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H34N4O4/c1-17-15-28(18-8-9-21(32-2)22(14-18)33-3)12-13-29(17)24(31)20-7-5-4-6-19(20)23(30)27-25(16-26)10-11-25/h8-9,14,17,19-20H,4-7,10-13,15H2,1-3H3,(H,27,30)/t17-,19-,20-/m1/s1 | PDB
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Similars
| | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50518231
(CHEMBL597248 | GNF-Pf-4180 | MMV006169)Show InChI InChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-22-20-18-13-7-8-14-19(18)24-21(25-20)23-17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25) | PDB
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| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of recombinant Trypanosoma cruzi cruzain by Lineweaver-Burk plot analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.06.062
BindingDB Entry DOI: 10.7270/Q2HM5D27 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50518231
(CHEMBL597248 | GNF-Pf-4180 | MMV006169)Show InChI InChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-22-20-18-13-7-8-14-19(18)24-21(25-20)23-17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25) | PDB
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| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of Trypanosoma cruzi cruzain |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01151
BindingDB Entry DOI: 10.7270/Q26Q221R |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50518231
(CHEMBL597248 | GNF-Pf-4180 | MMV006169)Show InChI InChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-22-20-18-13-7-8-14-19(18)24-21(25-20)23-17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25) | PDB
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| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of Trypanosoma cruzi cruzain assessed as inhibition constant using varying levels of Z-FR-AMC as substrate by Michaelis-Menten... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01151
BindingDB Entry DOI: 10.7270/Q26Q221R |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50322742
(CHEMBL1173694 | N-(2-(1H-benzo[d]imidazol-2-yl)eth...)Show InChI InChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21) | PDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cruzipain
(Trypanosoma cruzi) | BDBM50322743
(8-chloro-N-(3-morpholinopropyl)-5H-pyrimido[5,4-b]...)Show InChI InChI=1S/C17H20ClN5O/c18-12-2-3-14-13(10-12)15-16(22-14)17(21-11-20-15)19-4-1-5-23-6-8-24-9-7-23/h2-3,10-11,22H,1,4-9H2,(H,19,20,21) | PDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay |
J Med Chem 53: 4891-905 (2010)
Article DOI: 10.1021/jm100488w
BindingDB Entry DOI: 10.7270/Q2BG2P68 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50322742
(CHEMBL1173694 | N-(2-(1H-benzo[d]imidazol-2-yl)eth...)Show InChI InChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21) | PDB
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| MMDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay |
J Med Chem 53: 4891-905 (2010)
Article DOI: 10.1021/jm100488w
BindingDB Entry DOI: 10.7270/Q2BG2P68 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cruzipain
(Trypanosoma cruzi) | BDBM50546138
(CHEMBL4793916) | PDB
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| Article
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| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of recombinant Trypanosoma cruzi cruzain by Lineweaver-Burk plot analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.06.062
BindingDB Entry DOI: 10.7270/Q2HM5D27 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50575008
(CHEMBL4851626)Show SMILES O=C(N1CCOCC1)c1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1 | PDB
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| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of Trypanosoma cruzi cruzain assessed as inhibition constant using varying levels of Z-FR-AMC as substrate by Michaelis-Menten... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01151
BindingDB Entry DOI: 10.7270/Q26Q221R |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50322734
(CHEMBL1172022 | N-(1-(2-(furan-2-yl)-2-(piperidin-...)Show SMILES CC(C)C(NC(=O)c1ccco1)C(=O)NCC(N1CCCCC1)c1ccco1 Show InChI InChI=1S/C21H29N3O4/c1-15(2)19(23-20(25)18-9-7-13-28-18)21(26)22-14-16(17-8-6-12-27-17)24-10-4-3-5-11-24/h6-9,12-13,15-16,19H,3-5,10-11,14H2,1-2H3,(H,22,26)(H,23,25) | PDB
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| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay |
J Med Chem 53: 4891-905 (2010)
Article DOI: 10.1021/jm100488w
BindingDB Entry DOI: 10.7270/Q2BG2P68 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50546136
(CHEMBL531738)Show SMILES Cn1c2ccc(CNCCNc3ccnc4cc(Cl)ccc34)cc2n(C)c1=O | PDB
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Mixed inhibition of recombinant Trypanosoma brucei rhodesain expressed in Pichia pastoris by Lineweaver-Burk plot analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.06.062
BindingDB Entry DOI: 10.7270/Q2HM5D27 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50233289
(CHEMBL1241726)Show InChI InChI=1S/C16H20ClN3O/c17-13-2-3-14-15(4-6-19-16(14)12-13)18-5-1-7-20-8-10-21-11-9-20/h2-4,6,12H,1,5,7-11H2,(H,18,19) | PDB
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| 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Minas Gerais
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant Trypanosoma cruzi cruzain in presence of varying levels of Z-phe-Arg-amidomethylcoumarin substrate by Lineweave... |
Bioorg Med Chem 25: 1889-1900 (2017)
Article DOI: 10.1016/j.bmc.2017.02.009
BindingDB Entry DOI: 10.7270/Q21838R0 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50295154
(2-(2,5-dichlorophenylamino)-2-oxoethyl 2-aminonico...)Show InChI InChI=1S/C14H11Cl2N3O3/c15-8-3-4-10(16)11(6-8)19-12(20)7-22-14(21)9-2-1-5-18-13(9)17/h1-6H,7H2,(H2,17,18)(H,19,20) | PDB
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| 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Competitive inhibition of Trypanosoma cruzi cruzain by Lineaweaver-Burk plot analysis |
J Med Chem 52: 5005-8 (2010)
Article DOI: 10.1021/jm9009229
BindingDB Entry DOI: 10.7270/Q24J0F50 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50303420
(6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...)Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21) | PDB
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis |
J Med Chem 53: 52-60 (2010)
Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cruzipain
(Trypanosoma cruzi) | BDBM50303422
(6-(3-chlorophenylamino)-9-cyclopentyl-9H-purine-2-...)Show InChI InChI=1S/C17H15ClN6/c18-11-4-3-5-12(8-11)21-16-15-17(23-14(9-19)22-16)24(10-20-15)13-6-1-2-7-13/h3-5,8,10,13H,1-2,6-7H2,(H,21,22,23) | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis |
J Med Chem 53: 52-60 (2010)
Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cruzipain
(Trypanosoma cruzi) | BDBM50303421
(6-(3-Chlorophenylamino)-9-ethyl-9H-purine-2-carbon...)Show InChI InChI=1S/C14H11ClN6/c1-2-21-8-17-12-13(19-11(7-16)20-14(12)21)18-10-5-3-4-9(15)6-10/h3-6,8H,2H2,1H3,(H,18,19,20) | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis |
J Med Chem 53: 52-60 (2010)
Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cruzipain
(Trypanosoma cruzi) | BDBM50303434
(4-(cyclopentylamino)-6-(3-nitrophenylamino)-1,3,5-...)Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C15H15N7O2/c16-9-13-19-14(17-10-4-1-2-5-10)21-15(20-13)18-11-6-3-7-12(8-11)22(23)24/h3,6-8,10H,1-2,4-5H2,(H2,17,18,19,20,21) | PDB
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National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis |
J Med Chem 53: 52-60 (2010)
Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50303419
(4-(2,2-difluoroethylamino)-6-(3,5-difluorophenylam...)Show InChI InChI=1S/C12H8F4N6/c13-6-1-7(14)3-8(2-6)19-12-21-10(4-17)20-11(22-12)18-5-9(15)16/h1-3,9H,5H2,(H2,18,19,20,21,22) | PDB
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis |
J Med Chem 53: 52-60 (2010)
Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50303410
(4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5...)Show InChI InChI=1S/C15H15ClN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis |
J Med Chem 53: 52-60 (2010)
Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50303411
(4-(3-bromophenylamino)-6-(cyclopentylamino)-1,3,5-...)Show InChI InChI=1S/C15H15BrN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis |
J Med Chem 53: 52-60 (2010)
Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126127
(CHEMBL3628943)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccn2nccc2n1)C1CCCC1 |r| Show InChI InChI=1S/C29H33F4N7O2/c1-3-4-9-22(23(41)17-42-28-26(32)20(30)14-21(31)27(28)33)40-16-24(37-38-40)29(2,18-7-5-6-8-18)34-15-19-11-13-39-25(36-19)10-12-35-39/h10-14,16,18,22,34H,3-9,15,17H2,1-2H3/t22?,29-/m0/s1 | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM12042
((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10+,11+/m0/s1 | PDB
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| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant Trypanosoma brucei rhodesiense MVAT4 rhodesain expressed in Pichia pastoris using Z-FR-AMC as substrate by fluorometry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01151
BindingDB Entry DOI: 10.7270/Q26Q221R |
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
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| 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 | |
Cruzipain
(Trypanosoma cruzi) | BDBM50303417
(4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...)Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis |
J Med Chem 53: 52-60 (2010)
Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5 |
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
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| 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 | |
Cruzipain
(Trypanosoma cruzi) | BDBM50117291
(CHEMBL3613587)Show SMILES NC(=S)N\N=C(/COc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 Show InChI InChI=1S/C15H12BrCl2N3OS/c16-10-3-1-9(2-4-10)14(20-21-15(19)23)8-22-11-5-6-12(17)13(18)7-11/h1-7H,8H2,(H3,19,21,23)/b20-14+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay |
Eur J Med Chem 101: 818-35 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.048
BindingDB Entry DOI: 10.7270/Q22R3TG5 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50058809
(CHEMBL3329524)Show InChI InChI=1S/C20H16N4S/c1-14(18-8-4-5-11-21-18)23-24-20-22-19(13-25-20)17-10-9-15-6-2-3-7-16(15)12-17/h2-13H,1H3,(H,22,24)/b23-14+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst... |
Eur J Med Chem 86: 48-59 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.012
BindingDB Entry DOI: 10.7270/Q2W097M2 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50303435
(4-(cyclopentylamino)-6-(3-fluorophenylamino)-1,3,5...)Show InChI InChI=1S/C15H15FN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis |
J Med Chem 53: 52-60 (2010)
Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5 |
More data for this
Ligand-Target Pair | |
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