Found 856 hits of ic50 for UniProtKB: P25779 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cruzipain
(Trypanosoma cruzi) | BDBM50603782
(CHEMBL4596414)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0810 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50602542
(CHEMBL4594870)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1 |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0860 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50602545
(CHEMBL4596647)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50331776
((S)-4,4-dichloro-N-((S)-1-cyano-2-phenylethyl)-2-(...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C28H26Cl2F3N3O3S/c1-40(38,39)23-13-11-20(12-14-23)19-7-9-21(10-8-19)26(28(31,32)33)36-24(16-25(29)30)27(37)35-22(17-34)15-18-5-3-2-4-6-18/h2-14,22,24-26,36H,15-16H2,1H3,(H,35,37)/t22-,24-,26-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of trypanosoma cruzi Cruzipain |
Bioorg Med Chem Lett 20: 7444-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603794
(CHEMBL5184737)Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603779
(CHEMBL3558756)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603788
(CHEMBL5171874)Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccccc1)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603795
(CHEMBL5175270)Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50602544
(CHEMBL4594757)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Texas A&M University
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by spectrofluorometric assay |
J Med Chem 63: 3298-3316 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02078 BindingDB Entry DOI: 10.7270/Q2PV6PQD |
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 MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 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) | BDBM50214542
((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...)Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N Show InChI InChI=1S/C30H32F3N3O3S/c1-20(2)17-27(29(37)35-25(19-34)18-21-7-5-4-6-8-21)36-28(30(31,32)33)24-11-9-22(10-12-24)23-13-15-26(16-14-23)40(3,38)39/h4-16,20,25,27-28,36H,17-18H2,1-3H3,(H,35,37)/t25-,27-,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of trypanosoma cruzi Cruzipain |
Bioorg Med Chem Lett 20: 7444-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50331769
((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C30H28F4N4O3S/c1-18(2)27(29(39)37-24(17-36)15-23-5-4-19(16-35)14-26(23)31)38-28(30(32,33)34)22-8-6-20(7-9-22)21-10-12-25(13-11-21)42(3,40)41/h4-14,18,24,27-28,38H,15H2,1-3H3,(H,37,39)/t24-,27-,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of trypanosoma cruzi Cruzipain |
Bioorg Med Chem Lett 20: 7444-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50331767
(1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-(4-cyano-2-fluo...)Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C33H31F4N5O2/c1-19(2)28(30(43)41-26(18-39)16-24-4-3-20(17-38)15-27(24)34)42-29(33(35,36)37)23-7-5-21(6-8-23)22-9-11-25(12-10-22)32(13-14-32)31(40)44/h3-12,15,19,26,28-29,42H,13-14,16H2,1-2H3,(H2,40,44)(H,41,43)/t26-,28-,29-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of trypanosoma cruzi Cruzipain |
Bioorg Med Chem Lett 20: 7444-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50505555
(CHEMBL4447348)Show SMILES COC1=CC(=O)N([C@H]1CC(C)C)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI InChI=1S/C39H60N4O7/c1-24(2)19-30(41-38(47)33(21-26(5)6)50-39(48)36(27(7)8)42(9)10)37(46)40-29(22-28-15-13-12-14-16-28)17-18-34(44)43-31(20-25(3)4)32(49-11)23-35(43)45/h12-18,23-27,29-31,33,36H,19-22H2,1-11H3,(H,40,46)(H,41,47)/b18-17+/t29-,30+,31+,33+,36+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ... |
J Med Chem 62: 9026-9044 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603793
(CHEMBL5199542)Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50033762
(Gallinamide A)Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38| Show InChI InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ... |
J Med Chem 62: 9026-9044 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603792
(CHEMBL5176188)Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
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 MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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) | BDBM50603781
(CHEMBL4596941)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603789
(CHEMBL5183942)Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccccc1)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
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 MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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) | BDBM50331768
((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H28F6N4O2/c1-17(2)26(30(43)40-24(16-39)14-23-4-3-18(15-38)13-25(23)32)41-28(31(35,36)37)22-11-7-20(8-12-22)19-5-9-21(10-6-19)27(42)29(33)34/h3-13,17,24,26-29,41-42H,14H2,1-2H3,(H,40,43)/t24-,26-,27+,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of trypanosoma cruzi Cruzipain |
Bioorg Med Chem Lett 20: 7444-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50331768
((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H28F6N4O2/c1-17(2)26(30(43)40-24(16-39)14-23-4-3-18(15-38)13-25(23)32)41-28(31(35,36)37)22-11-7-20(8-12-22)19-5-9-21(10-6-19)27(42)29(33)34/h3-13,17,24,26-29,41-42H,14H2,1-2H3,(H,40,43)/t24-,26-,27+,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo
Curated by ChEMBL
| Assay Description Reversible inhibition of Trypanosoma cruzi cruzipain |
J Med Chem 62: 10497-10525 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00683 BindingDB Entry DOI: 10.7270/Q2K93BT1 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50505557
(CHEMBL4527930)Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@H](C)C(OCCCCC#C)=CC1=O |r,c:43| Show InChI InChI=1S/C36H58N4O7/c1-12-14-15-16-19-46-29-22-32(42)40(27(29)9)31(41)18-17-26(8)37-34(43)28(20-23(3)4)38-35(44)30(21-24(5)6)47-36(45)33(39(10)11)25(7)13-2/h1,17-18,22-28,30,33H,13-16,19-21H2,2-11H3,(H,37,43)(H,38,44)/b18-17+/t25-,26-,27+,28-,30-,33-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ... |
J Med Chem 62: 9026-9044 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50505568
(CHEMBL4482954)Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](CC(C)C)C(OC)=CC1=O |r,c:41| Show InChI InChI=1S/C34H58N4O7/c1-13-23(8)31(37(10)11)34(43)45-28(18-22(6)7)33(42)36-25(16-20(2)3)32(41)35-24(9)14-15-29(39)38-26(17-21(4)5)27(44-12)19-30(38)40/h14-15,19-26,28,31H,13,16-18H2,1-12H3,(H,35,41)(H,36,42)/b15-14+/t23-,24-,25-,26-,28-,31-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ... |
J Med Chem 62: 9026-9044 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603783
(CHEMBL4595806)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603790
(CHEMBL5191563)Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603796
(CHEMBL5204190)Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc2ccccc2c1)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603787
(CHEMBL4597308)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50505562
(CHEMBL4445744)Show SMILES COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2| Show InChI InChI=1S/C40H54N4O7/c1-26(2)21-31(42-39(48)35(22-27(3)4)51-40(49)33(43(6)7)24-30-17-13-10-14-18-30)38(47)41-28(5)19-20-36(45)44-32(34(50-8)25-37(44)46)23-29-15-11-9-12-16-29/h9-20,25-28,31-33,35H,21-24H2,1-8H3,(H,41,47)(H,42,48)/b20-19+/t28-,31-,32-,33-,35-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ... |
J Med Chem 62: 9026-9044 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603780
(CHEMBL4596992)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50505554
(CHEMBL4564747)Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:45| Show InChI InChI=1S/C37H56N4O7/c1-11-25(6)34(40(8)9)37(46)48-31(20-24(4)5)36(45)39-28(19-23(2)3)35(44)38-26(7)17-18-32(42)41-29(30(47-10)22-33(41)43)21-27-15-13-12-14-16-27/h12-18,22-26,28-29,31,34H,11,19-21H2,1-10H3,(H,38,44)(H,39,45)/b18-17+/t25-,26-,28-,29-,31-,34-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ... |
J Med Chem 62: 9026-9044 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603791
(CHEMBL5179302)Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50505322
(CHEMBL4557939)Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C26H31F4N5O/c1-25(2,27)17-22(24(36)33-12-11-31)34-23(26(28,29)30)20-5-3-18(4-6-20)19-7-9-21(10-8-19)35-15-13-32-14-16-35/h3-10,22-23,32,34H,12-17H2,1-2H3,(H,33,36)/t22-,23-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo
Curated by ChEMBL
| Assay Description Reversible inhibition of Trypanosoma cruzi cruzipain |
J Med Chem 62: 10497-10525 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00683 BindingDB Entry DOI: 10.7270/Q2K93BT1 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50505563
(CHEMBL4527329)Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:45| Show InChI InChI=1S/C37H56N4O7/c1-11-25(6)34(40(8)9)37(46)48-31(20-24(4)5)36(45)39-29(19-23(2)3)35(44)38-28(21-27-15-13-12-14-16-27)17-18-32(42)41-26(7)30(47-10)22-33(41)43/h12-18,22-26,28-29,31,34H,11,19-21H2,1-10H3,(H,38,44)(H,39,45)/b18-17+/t25-,26-,28+,29-,31-,34-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ... |
J Med Chem 62: 9026-9044 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603786
(CHEMBL4595664)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50331787
((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-5-4-19(17-37)14-26(23)32)40-28(31(34,35)36)22-8-6-20(7-9-22)21-10-12-25(13-11-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24-,27-,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of trypanosoma cruzi Cruzipain |
Bioorg Med Chem Lett 20: 7444-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D |
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 MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 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) | BDBM50331787
((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-5-4-19(17-37)14-26(23)32)40-28(31(34,35)36)22-8-6-20(7-9-22)21-10-12-25(13-11-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24-,27-,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo
Curated by ChEMBL
| Assay Description Reversible inhibition of Trypanosoma cruzi cruzipain |
J Med Chem 62: 10497-10525 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00683 BindingDB Entry DOI: 10.7270/Q2K93BT1 |
More data for this Ligand-Target Pair | |
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 MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 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) | BDBM50505565
(CHEMBL4474668)Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52| Show InChI InChI=1S/C43H60N4O7/c1-10-30(6)40(46(7)8)43(52)54-37(24-29(4)5)42(51)45-34(23-28(2)3)41(50)44-33(25-31-17-13-11-14-18-31)21-22-38(48)47-35(36(53-9)27-39(47)49)26-32-19-15-12-16-20-32/h11-22,27-30,33-35,37,40H,10,23-26H2,1-9H3,(H,44,50)(H,45,51)/b22-21+/t30-,33+,34-,35+,37-,40-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ... |
J Med Chem 62: 9026-9044 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50505559
(CHEMBL4441303)Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](CC(C)C)C(OC)=CC1=O |r,c:48| Show InChI InChI=1S/C40H62N4O7/c1-12-28(8)37(43(9)10)40(49)51-34(22-27(6)7)39(48)42-31(20-25(2)3)38(47)41-30(23-29-16-14-13-15-17-29)18-19-35(45)44-32(21-26(4)5)33(50-11)24-36(44)46/h13-19,24-28,30-32,34,37H,12,20-23H2,1-11H3,(H,41,47)(H,42,48)/b19-18+/t28-,30+,31-,32-,34-,37-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ... |
J Med Chem 62: 9026-9044 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50602543
(CHEMBL4598338)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50331787
((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-5-4-19(17-37)14-26(23)32)40-28(31(34,35)36)22-8-6-20(7-9-22)21-10-12-25(13-11-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24-,27-,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116365 BindingDB Entry DOI: 10.7270/Q2QZ2G27 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50505564
(CHEMBL4527867)Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52| Show InChI InChI=1S/C43H60N4O7/c1-10-30(6)40(46(7)8)43(52)54-37(24-29(4)5)42(51)45-34(23-28(2)3)41(50)44-33(25-31-17-13-11-14-18-31)21-22-38(48)47-35(36(53-9)27-39(47)49)26-32-19-15-12-16-20-32/h11-22,27-30,33-35,37,40H,10,23-26H2,1-9H3,(H,44,50)(H,45,51)/b22-21+/t30-,33+,34-,35-,37-,40-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ... |
J Med Chem 62: 9026-9044 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50505561
(CHEMBL4475810)Show SMILES COC1=CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2| Show InChI InChI=1S/C40H54N4O7/c1-26(2)21-32(42-39(48)35(22-27(3)4)51-40(49)33(43(6)7)24-30-17-13-10-14-18-30)38(47)41-31(23-29-15-11-9-12-16-29)19-20-36(45)44-28(5)34(50-8)25-37(44)46/h9-20,25-28,31-33,35H,21-24H2,1-8H3,(H,41,47)(H,42,48)/b20-19+/t28-,31+,32-,33-,35-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ... |
J Med Chem 62: 9026-9044 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50033762
(Gallinamide A)Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38| Show InChI InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50603784
(CHEMBL4595223)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50505560
(CHEMBL4471760)Show SMILES COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2| Show InChI InChI=1S/C46H58N4O7/c1-31(2)25-37(48-45(54)41(26-32(3)4)57-46(55)39(49(5)6)29-35-21-15-10-16-22-35)44(53)47-36(27-33-17-11-8-12-18-33)23-24-42(51)50-38(40(56-7)30-43(50)52)28-34-19-13-9-14-20-34/h8-24,30-32,36-39,41H,25-29H2,1-7H3,(H,47,53)(H,48,54)/b24-23+/t36-,37+,38+,39+,41+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ... |
J Med Chem 62: 9026-9044 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC |
More data for this Ligand-Target Pair | |