Found 27 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) | 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 MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126138
(CHEMBL3628938)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncsc2c1)C1CCCC1 |r| Show InChI InChI=1S/C30H33F4N5O2S/c1-3-4-9-23(24(40)16-41-29-27(33)20(31)13-21(32)28(29)34)39-15-26(37-38-39)30(2,19-7-5-6-8-19)36-14-18-10-11-22-25(12-18)42-17-35-22/h10-13,15,17,19,23,36H,3-9,14,16H2,1-2H3/t23?,30-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126137
(CHEMBL3628939)Show SMILES C[C@](NCc1ccc2ncsc2c1)(C1CCCC1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C29H31F4N5O4S2/c1-29(18-5-3-4-6-18,35-13-17-7-8-21-24(11-17)43-16-34-21)25-14-38(37-36-25)22(9-10-44(2,40)41)23(39)15-42-28-26(32)19(30)12-20(31)27(28)33/h7-8,11-12,14,16,18,22,35H,3-6,9-10,13,15H2,1-2H3/t22?,29-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50306600
(3-(4-((S)-1-cyclopentyl-1-(quinolin-6-ylmethylamin...)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCC1 |r| Show InChI InChI=1S/C32H35F4N5O2/c1-3-4-11-26(27(42)19-43-31-29(35)23(33)16-24(34)30(31)36)41-18-28(39-40-41)32(2,22-9-5-6-10-22)38-17-20-12-13-25-21(15-20)8-7-14-37-25/h7-8,12-16,18,22,26,38H,3-6,9-11,17,19H2,1-2H3/t26?,32-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126134
(CHEMBL3628934)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncsc2c1)C(C)C |r| Show InChI InChI=1S/C28H31F4N5O2S/c1-5-6-7-21(22(38)14-39-27-25(31)18(29)11-19(30)26(27)32)37-13-24(35-36-37)28(4,16(2)3)34-12-17-8-9-20-23(10-17)40-15-33-20/h8-11,13,15-16,21,34H,5-7,12,14H2,1-4H3/t21?,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126139
(CHEMBL3628937)Show SMILES COCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncsc2c1)C(C)C |r| Show InChI InChI=1S/C27H29F4N5O3S/c1-15(2)27(3,33-11-16-5-6-19-22(9-16)40-14-32-19)23-12-36(35-34-23)20(7-8-38-4)21(37)13-39-26-24(30)17(28)10-18(29)25(26)31/h5-6,9-10,12,14-15,20,33H,7-8,11,13H2,1-4H3/t20?,27-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126126
(CHEMBL3628942)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccn2nccc2n1)C(C)C |r| Show InChI InChI=1S/C27H31F4N7O2/c1-5-6-7-20(21(39)15-40-26-24(30)18(28)12-19(29)25(26)31)38-14-22(35-36-38)27(4,16(2)3)32-13-17-9-11-37-23(34-17)8-10-33-37/h8-12,14,16,20,32H,5-7,13,15H2,1-4H3/t20?,27-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126136
(CHEMBL3628940)Show SMILES COCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncsc2c1)C1CCCC1 |r| Show InChI InChI=1S/C29H31F4N5O3S/c1-29(18-5-3-4-6-18,35-13-17-7-8-21-24(11-17)42-16-34-21)25-14-38(37-36-25)22(9-10-40-2)23(39)15-41-28-26(32)19(30)12-20(31)27(28)33/h7-8,11-12,14,16,18,22,35H,3-6,9-10,13,15H2,1-2H3/t22?,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 | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126140
(CHEMBL3628936)Show SMILES CC(C)[C@](C)(NCc1ccc2ncsc2c1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C27H29F4N5O4S2/c1-15(2)27(3,33-11-16-5-6-19-22(9-16)41-14-32-19)23-12-36(35-34-23)20(7-8-42(4,38)39)21(37)13-40-26-24(30)17(28)10-18(29)25(26)31/h5-6,9-10,12,14-15,20,33H,7-8,11,13H2,1-4H3/t20?,27-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50126137
(CHEMBL3628939)Show SMILES C[C@](NCc1ccc2ncsc2c1)(C1CCCC1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C29H31F4N5O4S2/c1-29(18-5-3-4-6-18,35-13-17-7-8-21-24(11-17)43-16-34-21)25-14-38(37-36-25)22(9-10-44(2,40)41)23(39)15-42-28-26(32)19(30)12-20(31)27(28)33/h7-8,11-12,14,16,18,22,35H,3-6,9-10,13,15H2,1-2H3/t22?,29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50306600
(3-(4-((S)-1-cyclopentyl-1-(quinolin-6-ylmethylamin...)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCC1 |r| Show InChI InChI=1S/C32H35F4N5O2/c1-3-4-11-26(27(42)19-43-31-29(35)23(33)16-24(34)30(31)36)41-18-28(39-40-41)32(2,22-9-5-6-10-22)38-17-20-12-13-25-21(15-20)8-7-14-37-25/h7-8,12-16,18,22,26,38H,3-6,9-11,17,19H2,1-2H3/t26?,32-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50126134
(CHEMBL3628934)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncsc2c1)C(C)C |r| Show InChI InChI=1S/C28H31F4N5O2S/c1-5-6-7-21(22(38)14-39-27-25(31)18(29)11-19(30)26(27)32)37-13-24(35-36-37)28(4,16(2)3)34-12-17-8-9-20-23(10-17)40-15-33-20/h8-11,13,15-16,21,34H,5-7,12,14H2,1-4H3/t21?,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50126126
(CHEMBL3628942)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccn2nccc2n1)C(C)C |r| Show InChI InChI=1S/C27H31F4N7O2/c1-5-6-7-20(21(39)15-40-26-24(30)18(28)12-19(29)25(26)31)38-14-22(35-36-38)27(4,16(2)3)32-13-17-9-11-37-23(34-17)8-10-33-37/h8-12,14,16,20,32H,5-7,13,15H2,1-4H3/t20?,27-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 314 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126120
(CHEMBL3628592)Show SMILES COCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r| Show InChI InChI=1S/C29H31F4N5O3/c1-17(2)29(3,35-14-18-7-8-22-19(12-18)6-5-10-34-22)25-15-38(37-36-25)23(9-11-40-4)24(39)16-41-28-26(32)20(30)13-21(31)27(28)33/h5-8,10,12-13,15,17,23,35H,9,11,14,16H2,1-4H3/t23?,29-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50306592
(3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r| Show InChI InChI=1S/C30H33F4N5O2/c1-5-6-9-24(25(40)17-41-29-27(33)21(31)14-22(32)28(29)34)39-16-26(37-38-39)30(4,18(2)3)36-15-19-10-11-23-20(13-19)8-7-12-35-23/h7-8,10-14,16,18,24,36H,5-6,9,15,17H2,1-4H3/t24?,30-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126128
(CHEMBL3628944)Show SMILES CC(C)[C@](C)(NCc1ccn2nccc2n1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C26H29F4N7O4S/c1-15(2)26(3,31-12-16-6-9-36-22(33-16)5-8-32-36)21-13-37(35-34-21)19(7-10-42(4,39)40)20(38)14-41-25-23(29)17(27)11-18(28)24(25)30/h5-6,8-9,11,13,15,19,31H,7,10,12,14H2,1-4H3/t19?,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 | 467 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126121
(CHEMBL3628591)Show SMILES CC(C)[C@](C)(NCc1ccc2ncccc2c1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C29H31F4N5O4S/c1-17(2)29(3,35-14-18-7-8-22-19(12-18)6-5-10-34-22)25-15-38(37-36-25)23(9-11-43(4,40)41)24(39)16-42-28-26(32)20(30)13-21(31)27(28)33/h5-8,10,12-13,15,17,23,35H,9,11,14,16H2,1-4H3/t23?,29-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126125
(CHEMBL3627733)Show SMILES C[C@](NCc1ccc2occc2c1)(C1CCCC1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C30H32F4N4O5S/c1-30(20-5-3-4-6-20,35-15-18-7-8-25-19(13-18)9-11-42-25)26-16-38(37-36-26)23(10-12-44(2,40)41)24(39)17-43-29-27(33)21(31)14-22(32)28(29)34/h7-9,11,13-14,16,20,23,35H,3-6,10,12,15,17H2,1-2H3/t23?,30-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126124
(CHEMBL3628941)Show SMILES CC(C)[C@](C)(NCc1ccc2occc2c1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C28H30F4N4O5S/c1-16(2)28(3,33-13-17-5-6-23-18(11-17)7-9-40-23)24-14-36(35-34-24)21(8-10-42(4,38)39)22(37)15-41-27-25(31)19(29)12-20(30)26(27)32/h5-7,9,11-12,14,16,21,33H,8,10,13,15H2,1-4H3/t21?,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126130
(CHEMBL3628932)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccncc1)C(C)C |r| Show InChI InChI=1S/C26H31F4N5O2/c1-5-6-7-20(21(36)15-37-25-23(29)18(27)12-19(28)24(25)30)35-14-22(33-34-35)26(4,16(2)3)32-13-17-8-10-31-11-9-17/h8-12,14,16,20,32H,5-7,13,15H2,1-4H3/t20?,26-/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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50126121
(CHEMBL3628591)Show SMILES CC(C)[C@](C)(NCc1ccc2ncccc2c1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C29H31F4N5O4S/c1-17(2)29(3,35-14-18-7-8-22-19(12-18)6-5-10-34-22)25-15-38(37-36-25)23(9-11-43(4,40)41)24(39)16-42-28-26(32)20(30)13-21(31)27(28)33/h5-8,10,12-13,15,17,23,35H,9,11,14,16H2,1-4H3/t23?,29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126123
(CHEMBL3628590)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NC(=O)c1ccc2ncccc2c1)C(C)C |r| Show InChI InChI=1S/C30H31F4N5O3/c1-5-6-9-23(24(40)16-42-28-26(33)20(31)14-21(32)27(28)34)39-15-25(37-38-39)30(4,17(2)3)36-29(41)19-10-11-22-18(13-19)8-7-12-35-22/h7-8,10-15,17,23H,5-6,9,16H2,1-4H3,(H,36,41)/t23?,30-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126129
(CHEMBL3628945)Show SMILES COCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccn2nccc2n1)C1CCCC1 |r| Show InChI InChI=1S/C28H31F4N7O3/c1-28(17-5-3-4-6-17,33-14-18-8-11-38-24(35-18)7-10-34-38)23-15-39(37-36-23)21(9-12-41-2)22(40)16-42-27-25(31)19(29)13-20(30)26(27)32/h7-8,10-11,13,15,17,21,33H,3-6,9,12,14,16H2,1-2H3/t21?,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 | 2.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126135
(CHEMBL3628935)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NC(=O)c1ccc2ncsc2c1)C(C)C |r| Show InChI InChI=1S/C28H29F4N5O3S/c1-5-6-7-20(21(38)13-40-26-24(31)17(29)11-18(30)25(26)32)37-12-23(35-36-37)28(4,15(2)3)34-27(39)16-8-9-19-22(10-16)41-14-33-19/h8-12,14-15,20H,5-7,13H2,1-4H3,(H,34,39)/t20?,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50306592
(3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r| Show InChI InChI=1S/C30H33F4N5O2/c1-5-6-9-24(25(40)17-41-29-27(33)21(31)14-22(32)28(29)34)39-16-26(37-38-39)30(4,18(2)3)36-15-19-10-11-23-20(13-19)8-7-12-35-23/h7-8,10-14,16,18,24,36H,5-6,9,15,17H2,1-4H3/t24?,30-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50126131
(CHEMBL3628933)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NC(=O)c1ccncc1)C(C)C |r| Show InChI InChI=1S/C26H29F4N5O3/c1-5-6-7-19(20(36)14-38-24-22(29)17(27)12-18(28)23(24)30)35-13-21(33-34-35)26(4,15(2)3)32-25(37)16-8-10-31-11-9-16/h8-13,15,19H,5-7,14H2,1-4H3,(H,32,37)/t19?,26-/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 | 2.30E+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 recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 4834-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR |
More data for this Ligand-Target Pair | |