Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50038357 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) | BDBM50108847
(CHEMBL162474 | benzyl (S)-4-methyl-1-oxo-1-((S)-3-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1 Show InChI InChI=1S/C33H40N2O4S/c1-25(2)21-30(35-33(38)39-23-28-17-10-5-11-18-28)32(37)34-29(22-27-15-8-4-9-16-27)31(36)24-40-20-12-19-26-13-6-3-7-14-26/h3-11,13-18,25,29-30H,12,19-24H2,1-2H3,(H,34,37)(H,35,38)/t29-,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108857
(CHEMBL160000 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C Show InChI InChI=1S/C28H38N2O4S/c1-20(2)16-24(30-27(33)34-18-22-14-10-7-11-15-22)26(32)29-23(17-21-12-8-6-9-13-21)25(31)19-35-28(3,4)5/h6-15,20,23-24H,16-19H2,1-5H3,(H,29,32)(H,30,33)/t23-,24-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108856
(CHEMBL103238 | benzyl (S)-1-oxo-1-((S)-3-oxo-1-phe...)Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C36H38N2O4S/c39-34(27-43-23-13-22-28-14-5-1-6-15-28)32(24-29-16-7-2-8-17-29)37-35(40)33(25-30-18-9-3-10-19-30)38-36(41)42-26-31-20-11-4-12-21-31/h1-12,14-21,32-33H,13,22-27H2,(H,37,40)(H,38,41)/t32-,33-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108862
(CHEMBL161651 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...)Show SMILES CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H36N2O4S/c1-31(2,3)38-22-28(34)26(19-23-13-7-4-8-14-23)32-29(35)27(20-24-15-9-5-10-16-24)33-30(36)37-21-25-17-11-6-12-18-25/h4-18,26-27H,19-22H2,1-3H3,(H,32,35)(H,33,36)/t26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108840
(3-[3-(2-Benzyloxycarbonylamino-3-phenyl-propionyla...)Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C32H36N2O6S/c1-2-39-30(36)18-19-41-23-29(35)27(20-24-12-6-3-7-13-24)33-31(37)28(21-25-14-8-4-9-15-25)34-32(38)40-22-26-16-10-5-11-17-26/h3-17,27-28H,2,18-23H2,1H3,(H,33,37)(H,34,38)/t27-,28-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108852
(CHEMBL100849 | [(S)-1-((S)-1-Benzyl-2-oxo-3-phenet...)Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C35H36N2O4S/c38-33(26-42-22-21-27-13-5-1-6-14-27)31(23-28-15-7-2-8-16-28)36-34(39)32(24-29-17-9-3-10-18-29)37-35(40)41-25-30-19-11-4-12-20-30/h1-20,31-32H,21-26H2,(H,36,39)(H,37,40)/t31-,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108863
(CHEMBL162695 | [1-(1-Benzyl-3-isopropylsulfanyl-2-...)Show SMILES CC(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C30H34N2O4S/c1-22(2)37-21-28(33)26(18-23-12-6-3-7-13-23)31-29(34)27(19-24-14-8-4-9-15-24)32-30(35)36-20-25-16-10-5-11-17-25/h3-17,22,26-27H,18-21H2,1-2H3,(H,31,34)(H,32,35)/t26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108866
((1-{1-Benzyl-3-[1-(2,2-dimethyl-propyl)-1,3,3-trim...)Show SMILES CC(C)(C)CC(C)(CC(C)(C)C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C39H52N2O4S/c1-37(2,3)27-39(7,28-38(4,5)6)46-26-34(42)32(23-29-17-11-8-12-18-29)40-35(43)33(24-30-19-13-9-14-20-30)41-36(44)45-25-31-21-15-10-16-22-31/h8-22,32-33H,23-28H2,1-7H3,(H,40,43)(H,41,44)/t32-,33-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108873
(CHEMBL161424 | [1-(1-Benzyl-3-sec-butylsulfanyl-2-...)Show SMILES CCC(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H36N2O4S/c1-3-23(2)38-22-29(34)27(19-24-13-7-4-8-14-24)32-30(35)28(20-25-15-9-5-10-16-25)33-31(36)37-21-26-17-11-6-12-18-26/h4-18,23,27-28H,3,19-22H2,1-2H3,(H,32,35)(H,33,36)/t23?,27-,28-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108841
(CHEMBL161508 | [1-(1-Benzyl-3-cyclohexylsulfanyl-2...)Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C33H38N2O4S/c36-31(24-40-28-19-11-4-12-20-28)29(21-25-13-5-1-6-14-25)34-32(37)30(22-26-15-7-2-8-16-26)35-33(38)39-23-27-17-9-3-10-18-27/h1-3,5-10,13-18,28-30H,4,11-12,19-24H2,(H,34,37)(H,35,38)/t29-,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50375354
(CHEMBL258808)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)C Show InChI InChI=1S/C27H36N2O4S/c1-19(2)15-24(29-27(32)33-17-22-13-9-6-10-14-22)26(31)28-23(25(30)18-34-20(3)4)16-21-11-7-5-8-12-21/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,28,31)(H,29,32)/t23-,24-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108864
(3-[3-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...)Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C29H38N2O6S/c1-4-36-27(33)15-16-38-20-26(32)24(18-22-11-7-5-8-12-22)30-28(34)25(17-21(2)3)31-29(35)37-19-23-13-9-6-10-14-23/h5-14,21,24-25H,4,15-20H2,1-3H3,(H,30,34)(H,31,35)/t24-,25-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108861
(CHEMBL348117 | benzyl (S)-1-oxo-1-((S)-3-oxo-1-phe...)Show SMILES CC(C)(C)CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C35H44N2O4S/c1-34(2,3)25-35(4,5)42-24-31(38)29(21-26-15-9-6-10-16-26)36-32(39)30(22-27-17-11-7-12-18-27)37-33(40)41-23-28-19-13-8-14-20-28/h6-20,29-30H,21-25H2,1-5H3,(H,36,39)(H,37,40)/t29-,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.4 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108868
(CHEMBL351721 | [1-(1-Benzyl-3-methylcarbamoylmethy...)Show SMILES CNC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C30H33N3O5S/c1-31-28(35)21-39-20-27(34)25(17-22-11-5-2-6-12-22)32-29(36)26(18-23-13-7-3-8-14-23)33-30(37)38-19-24-15-9-4-10-16-24/h2-16,25-26H,17-21H2,1H3,(H,31,35)(H,32,36)(H,33,37)/t25-,26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108838
(CHEMBL346190 | benzyl (S)-1-((S)-4-(4-tert-butylbe...)Show SMILES CC(C)(C)c1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C38H42N2O4S/c1-38(2,3)32-21-19-31(20-22-32)26-45-27-35(41)33(23-28-13-7-4-8-14-28)39-36(42)34(24-29-15-9-5-10-16-29)40-37(43)44-25-30-17-11-6-12-18-30/h4-22,33-34H,23-27H2,1-3H3,(H,39,42)(H,40,43)/t33-,34-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108875
(CHEMBL157806 | benzyl (S)-1-((S)-4-(isopentylthio)...)Show SMILES CC(C)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C32H38N2O4S/c1-24(2)18-19-39-23-30(35)28(20-25-12-6-3-7-13-25)33-31(36)29(21-26-14-8-4-9-15-26)34-32(37)38-22-27-16-10-5-11-17-27/h3-17,24,28-29H,18-23H2,1-2H3,(H,33,36)(H,34,37)/t28-,29-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30.1 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108848
(CHEMBL348300 | [3-(2-Benzyloxycarbonylamino-3-phen...)Show SMILES CCOC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H34N2O6S/c1-2-38-29(35)22-40-21-28(34)26(18-23-12-6-3-7-13-23)32-30(36)27(19-24-14-8-4-9-15-24)33-31(37)39-20-25-16-10-5-11-17-25/h3-17,26-27H,2,18-22H2,1H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31.2 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108865
(CHEMBL263133 | benzyl (S)-1-((S)-4-(4-methoxybenzy...)Show SMILES COc1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C35H36N2O5S/c1-41-30-19-17-29(18-20-30)24-43-25-33(38)31(21-26-11-5-2-6-12-26)36-34(39)32(22-27-13-7-3-8-14-27)37-35(40)42-23-28-15-9-4-10-16-28/h2-20,31-32H,21-25H2,1H3,(H,36,39)(H,37,40)/t31-,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32.4 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108876
(CHEMBL352896 | benzyl (S)-1-((S)-4-(2-acetamidoeth...)Show SMILES CC(=O)NCCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H35N3O5S/c1-23(35)32-17-18-40-22-29(36)27(19-24-11-5-2-6-12-24)33-30(37)28(20-25-13-7-3-8-14-25)34-31(38)39-21-26-15-9-4-10-16-26/h2-16,27-28H,17-22H2,1H3,(H,32,35)(H,33,37)(H,34,38)/t27-,28-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34.3 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108870
(CHEMBL159089 | [1-(1-Benzyl-3-cyclopentylsulfanyl-...)Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC1CCCC1)OCc1ccccc1 Show InChI InChI=1S/C32H36N2O4S/c35-30(23-39-27-18-10-11-19-27)28(20-24-12-4-1-5-13-24)33-31(36)29(21-25-14-6-2-7-15-25)34-32(37)38-22-26-16-8-3-9-17-26/h1-9,12-17,27-29H,10-11,18-23H2,(H,33,36)(H,34,37)/t28-,29-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34.3 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108844
(2-[3-(2-Benzyloxycarbonylamino-3-phenyl-propionyla...)Show SMILES CCOC(=O)C(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C32H36N2O6S/c1-3-39-31(37)23(2)41-22-29(35)27(19-24-13-7-4-8-14-24)33-30(36)28(20-25-15-9-5-10-16-25)34-32(38)40-21-26-17-11-6-12-18-26/h4-18,23,27-28H,3,19-22H2,1-2H3,(H,33,36)(H,34,38)/t23?,27-,28-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108853
(CHEMBL321988 | [(S)-1-((S)-1-Benzyl-3-benzylsulfan...)Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C34H34N2O4S/c37-32(25-41-24-29-19-11-4-12-20-29)30(21-26-13-5-1-6-14-26)35-33(38)31(22-27-15-7-2-8-16-27)36-34(39)40-23-28-17-9-3-10-18-28/h1-20,30-31H,21-25H2,(H,35,38)(H,36,39)/t30-,31-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 44 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108871
(CHEMBL162250 | Morpholine-4-carboxylic acid [1-(1-...)Show SMILES CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C28H37N3O4S/c1-28(2,3)36-20-25(32)23(18-21-10-6-4-7-11-21)29-26(33)24(19-22-12-8-5-9-13-22)30-27(34)31-14-16-35-17-15-31/h4-13,23-24H,14-20H2,1-3H3,(H,29,33)(H,30,34)/t23-,24-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 54.6 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108872
(3-(3-{2-[(Morpholine-4-carbonyl)-amino]-3-phenyl-p...)Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C29H37N3O6S/c1-2-38-27(34)13-18-39-21-26(33)24(19-22-9-5-3-6-10-22)30-28(35)25(20-23-11-7-4-8-12-23)31-29(36)32-14-16-37-17-15-32/h3-12,24-25H,2,13-21H2,1H3,(H,30,35)(H,31,36)/t24-,25-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 59.1 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108842
(CHEMBL161116 | Morpholine-4-carboxylic acid [1-(1-...)Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C Show InChI InChI=1S/C25H39N3O4S/c1-18(2)15-21(27-24(31)28-11-13-32-14-12-28)23(30)26-20(16-19-9-7-6-8-10-19)22(29)17-33-25(3,4)5/h6-10,18,20-21H,11-17H2,1-5H3,(H,26,30)(H,27,31)/t20-,21-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 59.7 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108869
(3-(3-{4-Methyl-2-[(morpholine-4-carbonyl)-amino]-p...)Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 Show InChI InChI=1S/C26H39N3O6S/c1-4-35-24(31)10-15-36-18-23(30)21(17-20-8-6-5-7-9-20)27-25(32)22(16-19(2)3)28-26(33)29-11-13-34-14-12-29/h5-9,19,21-22H,4,10-18H2,1-3H3,(H,27,32)(H,28,33)/t21-,22-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 69.6 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108859
(CHEMBL350888 | benzyl (S)-1-((S)-4-(4-chlorobenzyl...)Show SMILES Clc1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C34H33ClN2O4S/c35-29-18-16-28(17-19-29)23-42-24-32(38)30(20-25-10-4-1-5-11-25)36-33(39)31(21-26-12-6-2-7-13-26)37-34(40)41-22-27-14-8-3-9-15-27/h1-19,30-31H,20-24H2,(H,36,39)(H,37,40)/t30-,31-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 82.7 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108851
(CHEMBL159247 | Morpholine-4-carboxylic acid {1-[1-...)Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1 Show InChI InChI=1S/C30H41N3O4S/c1-23(2)20-27(32-30(36)33-15-17-37-18-16-33)29(35)31-26(21-25-12-7-4-8-13-25)28(34)22-38-19-9-14-24-10-5-3-6-11-24/h3-8,10-13,23,26-27H,9,14-22H2,1-2H3,(H,31,35)(H,32,36)/t26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 131 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50108843
(CHEMBL350102 | Morpholine-4-carboxylic acid {1-[1-...)Show SMILES O=C(CSCCCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C33H39N3O4S/c37-31(25-41-22-10-17-26-11-4-1-5-12-26)29(23-27-13-6-2-7-14-27)34-32(38)30(24-28-15-8-3-9-16-28)35-33(39)36-18-20-40-21-19-36/h1-9,11-16,29-30H,10,17-25H2,(H,34,38)(H,35,39)/t29-,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 216 | 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
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem 16: 838-53 (2008)
Article DOI: 10.1016/j.bmc.2007.10.048
BindingDB Entry DOI: 10.7270/Q2H70GPF |
More data for this
Ligand-Target Pair | |
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