Found 38 hits of Enzyme Inhibition Constant Data 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) | BDBM41383
(MLS000084061 | N-[(1S)-1-[5-(2-chloro-6-fluoro-ben...)Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1c(F)cccc1Cl Show InChI InChI=1S/C18H23ClFN3O5S/c1-10(2)14(21-16(24)28-18(3,4)5)15-22-23-17(27-15)29(25,26)9-11-12(19)7-6-8-13(11)20/h6-8,10,14H,9H2,1-5H3,(H,21,24)/t14-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM41383
(MLS000084061 | N-[(1S)-1-[5-(2-chloro-6-fluoro-ben...)Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1c(F)cccc1Cl Show InChI InChI=1S/C18H23ClFN3O5S/c1-10(2)14(21-16(24)28-18(3,4)5)15-22-23-17(27-15)29(25,26)9-11-12(19)7-6-8-13(11)20/h6-8,10,14H,9H2,1-5H3,(H,21,24)/t14-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373129
(CHEMBL265957)Show SMILES CCOC(=O)SC1=N\C(=C\c2ccc(cc2)N(C)C)C(=O)S1 |t:6| Show InChI InChI=1S/C15H16N2O3S2/c1-4-20-15(19)22-14-16-12(13(18)21-14)9-10-5-7-11(8-6-10)17(2)3/h5-9H,4H2,1-3H3/b12-9+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373133
(CHEMBL259355)Show InChI InChI=1S/C15H17NO2/c1-11-8-9-12(2)16(11)14(15(17)18)10-13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3,(H,17,18) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373128
(CHEMBL409906)Show SMILES CCOC(=O)C1=C(N=C(SCC(=O)Nc2ccc(C)cc2)C(C#N)C1c1ccco1)c1ccccc1 |t:5,7| Show InChI InChI=1S/C28H25N3O4S/c1-3-34-28(33)25-24(22-10-7-15-35-22)21(16-29)27(31-26(25)19-8-5-4-6-9-19)36-17-23(32)30-20-13-11-18(2)12-14-20/h4-15,21,24H,3,17H2,1-2H3,(H,30,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373123
(CHEMBL404954)Show SMILES [S-]C(=S)OC1CC2CC1C1CCCC21 |w:9.10,13.13,6.5,4.3,8.7,TEB:10:9:7:4.5,12:13:7:4.5,3:4:7:13.9| Show InChI InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/p-1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM60996
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3| Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373124
(CHEMBL261208)Show SMILES C[C@@H]1[C@@H]2C=C[C@@H]1[C@H]([C@@H]2C(O)=O)c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 |c:3| Show InChI InChI=1S/C22H18O7/c1-8-9-2-3-10(8)17(22(27)28)16(9)15-11-4-6-13(23)18(25)20(11)29-21-12(15)5-7-14(24)19(21)26/h2-10,16-17,23,25-26H,1H3,(H,27,28)/t8-,9-,10-,16-,17+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM60996
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3| Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373132
(CHEMBL406555)Show InChI InChI=1S/C15H9NO4/c17-14(19-11-5-3-7-16-9-11)12-8-10-4-1-2-6-13(10)20-15(12)18/h1-9H | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373132
(CHEMBL406555)Show InChI InChI=1S/C15H9NO4/c17-14(19-11-5-3-7-16-9-11)12-8-10-4-1-2-6-13(10)20-15(12)18/h1-9H | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373127
(CHEMBL259139)Show SMILES Oc1ccccc1C(=O)CC1(O)C(=O)Nc2cc(Cl)cc(Cl)c12 Show InChI InChI=1S/C16H11Cl2NO4/c17-8-5-10(18)14-11(6-8)19-15(22)16(14,23)7-13(21)9-3-1-2-4-12(9)20/h1-6,20,23H,7H2,(H,19,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373129
(CHEMBL265957)Show SMILES CCOC(=O)SC1=N\C(=C\c2ccc(cc2)N(C)C)C(=O)S1 |t:6| Show InChI InChI=1S/C15H16N2O3S2/c1-4-20-15(19)22-14-16-12(13(18)21-14)9-10-5-7-11(8-6-10)17(2)3/h5-9H,4H2,1-3H3/b12-9+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373122
(CHEMBL409024)Show SMILES N[C@@H](Cc1cc(cc(CP(O)(O)=O)c1O)-c1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C16H16Cl2NO6P/c17-11-1-2-12(13(18)6-11)8-3-9(5-14(19)16(21)22)15(20)10(4-8)7-26(23,24)25/h1-4,6,14,20H,5,7,19H2,(H,21,22)(H2,23,24,25)/t14-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 7.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373122
(CHEMBL409024)Show SMILES N[C@@H](Cc1cc(cc(CP(O)(O)=O)c1O)-c1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C16H16Cl2NO6P/c17-11-1-2-12(13(18)6-11)8-3-9(5-14(19)16(21)22)15(20)10(4-8)7-26(23,24)25/h1-4,6,14,20H,5,7,19H2,(H,21,22)(H2,23,24,25)/t14-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 7.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373121
(CHEMBL261812)Show SMILES CC(C)(C)OC(=O)NCc1nnc(o1)S(=O)(=O)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C15H17Cl2N3O5S/c1-15(2,3)25-13(21)18-7-12-19-20-14(24-12)26(22,23)8-9-4-5-10(16)6-11(9)17/h4-6H,7-8H2,1-3H3,(H,18,21) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM66247
(MLS000041932 | N-[2-[5-(2,4-dichlorobenzyl)sulfony...)Show SMILES CC(C)(C)OC(=O)NCCc1nnc(o1)S(=O)(=O)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H19Cl2N3O5S/c1-16(2,3)26-14(22)19-7-6-13-20-21-15(25-13)27(23,24)9-10-4-5-11(17)8-12(10)18/h4-5,8H,6-7,9H2,1-3H3,(H,19,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373125
(CHEMBL258670)Show SMILES OC(=O)C=Cc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 |w:4.4| Show InChI InChI=1S/C16H10O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-6,17,21-22H,(H,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373124
(CHEMBL261208)Show SMILES C[C@@H]1[C@@H]2C=C[C@@H]1[C@H]([C@@H]2C(O)=O)c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 |c:3| Show InChI InChI=1S/C22H18O7/c1-8-9-2-3-10(8)17(22(27)28)16(9)15-11-4-6-13(23)18(25)20(11)29-21-12(15)5-7-14(24)19(21)26/h2-10,16-17,23,25-26H,1H3,(H,27,28)/t8-,9-,10-,16-,17+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM33434
(1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole | 1-b...)Show InChI InChI=1S/C12H9N3O2/c1-8-9(6-7-17-8)12(16)15-11-5-3-2-4-10(11)13-14-15/h2-7H,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373126
(CHEMBL408636)Show InChI InChI=1S/C15H12N2O4/c1-9-6-7-17(16-9)14(18)11-8-10-4-3-5-12(20-2)13(10)21-15(11)19/h3-8H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373125
(CHEMBL258670)Show SMILES OC(=O)C=Cc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 |w:4.4| Show InChI InChI=1S/C16H10O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-6,17,21-22H,(H,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373126
(CHEMBL408636)Show InChI InChI=1S/C15H12N2O4/c1-9-6-7-17(16-9)14(18)11-8-10-4-3-5-12(20-2)13(10)21-15(11)19/h3-8H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373128
(CHEMBL409906)Show SMILES CCOC(=O)C1=C(N=C(SCC(=O)Nc2ccc(C)cc2)C(C#N)C1c1ccco1)c1ccccc1 |t:5,7| Show InChI InChI=1S/C28H25N3O4S/c1-3-34-28(33)25-24(22-10-7-15-35-22)21(16-29)27(31-26(25)19-8-5-4-6-9-19)36-17-23(32)30-20-13-11-18(2)12-14-20/h4-15,21,24H,3,17H2,1-2H3,(H,30,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373127
(CHEMBL259139)Show SMILES Oc1ccccc1C(=O)CC1(O)C(=O)Nc2cc(Cl)cc(Cl)c12 Show InChI InChI=1S/C16H11Cl2NO4/c17-8-5-10(18)14-11(6-8)19-15(22)16(14,23)7-13(21)9-3-1-2-4-12(9)20/h1-6,20,23H,7H2,(H,19,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM4078
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM4078
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373121
(CHEMBL261812)Show SMILES CC(C)(C)OC(=O)NCc1nnc(o1)S(=O)(=O)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C15H17Cl2N3O5S/c1-15(2,3)25-13(21)18-7-12-19-20-14(24-12)26(22,23)8-9-4-5-10(16)6-11(9)17/h4-6H,7-8H2,1-3H3,(H,18,21) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM66247
(MLS000041932 | N-[2-[5-(2,4-dichlorobenzyl)sulfony...)Show SMILES CC(C)(C)OC(=O)NCCc1nnc(o1)S(=O)(=O)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H19Cl2N3O5S/c1-16(2,3)26-14(22)19-7-6-13-20-21-15(25-13)27(23,24)9-10-4-5-11(17)8-12(10)18/h4-5,8H,6-7,9H2,1-3H3,(H,19,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373133
(CHEMBL259355)Show InChI InChI=1S/C15H17NO2/c1-11-8-9-12(2)16(11)14(15(17)18)10-13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3,(H,17,18) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50003067
(CHEMBL261122)Show InChI InChI=1S/C14H12O5/c1-3-18-14(17)11(8(2)15)12-9-6-4-5-7-10(9)13(16)19-12/h4-7H,3H2,1-2H3/b12-11- | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | <6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373130
(CHEMBL261259)Show SMILES CCCC12CN(CC(C)(CN(C1)C(=O)c1ccc(OC)cc1)C2=O)C(=O)c1ccc(OC)cc1 |THB:23:22:10.9.11:5.4.6| Show InChI InChI=1S/C27H32N2O5/c1-5-14-27-17-28(23(30)19-6-10-21(33-3)11-7-19)15-26(2,25(27)32)16-29(18-27)24(31)20-8-12-22(34-4)13-9-20/h6-13H,5,14-18H2,1-4H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50003067
(CHEMBL261122)Show InChI InChI=1S/C14H12O5/c1-3-18-14(17)11(8(2)15)12-9-6-4-5-7-10(9)13(16)19-12/h4-7H,3H2,1-2H3/b12-11- | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | <6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373130
(CHEMBL261259)Show SMILES CCCC12CN(CC(C)(CN(C1)C(=O)c1ccc(OC)cc1)C2=O)C(=O)c1ccc(OC)cc1 |THB:23:22:10.9.11:5.4.6| Show InChI InChI=1S/C27H32N2O5/c1-5-14-27-17-28(23(30)19-6-10-21(33-3)11-7-19)15-26(2,25(27)32)16-29(18-27)24(31)20-8-12-22(34-4)13-9-20/h6-13H,5,14-18H2,1-4H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM33434
(1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole | 1-b...)Show InChI InChI=1S/C12H9N3O2/c1-8-9(6-7-17-8)12(16)15-11-5-3-2-4-10(11)13-14-15/h2-7H,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373123
(CHEMBL404954)Show SMILES [S-]C(=S)OC1CC2CC1C1CCCC21 |w:9.10,13.13,6.5,4.3,8.7,TEB:10:9:7:4.5,12:13:7:4.5,3:4:7:13.9| Show InChI InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/p-1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373131
(CHEMBL258538)Show SMILES OC(=O)C(Cc1ccc(O)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O |w:3.3| Show InChI InChI=1S/C18H13NO7/c20-11-4-1-9(2-5-11)7-14(18(25)26)19-15(21)12-6-3-10(17(23)24)8-13(12)16(19)22/h1-6,8,14,20H,7H2,(H,23,24)(H,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain in presence of 0.01% Triton X-100 |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50373131
(CHEMBL258538)Show SMILES OC(=O)C(Cc1ccc(O)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O |w:3.3| Show InChI InChI=1S/C18H13NO7/c20-11-4-1-9(2-5-11)7-14(18(25)26)19-15(21)12-6-3-10(17(23)24)8-13(12)16(19)22/h1-6,8,14,20H,7H2,(H,23,24)(H,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description Inhibition of cruzain |
J Med Chem 51: 2502-11 (2008)
Article DOI: 10.1021/jm701500e BindingDB Entry DOI: 10.7270/Q23R0TQG |
More data for this Ligand-Target Pair | |