BDBM50108852 CHEMBL100849::[(S)-1-((S)-1-Benzyl-2-oxo-3-phenethylsulfanyl-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester::[1-(1-Benzyl-2-oxo-3-phenethylsulfanyl-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester::benzyl (S)-1-oxo-1-((S)-3-oxo-4-(phenethylthio)-1-phenylbutan-2-ylamino)-3-phenylpropan-2-ylcarbamate
SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCc1ccccc1)OCc1ccccc1
InChI Key: InChIKey=ZLPSCALPVXTMLH-ACHIHNKUSA-N
Data: 3 KI
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) | BDBM50108852 (CHEMBL100849 | [(S)-1-((S)-1-Benzyl-2-oxo-3-phenet...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi | J Med Chem 45: 676-84 (2002) BindingDB Entry DOI: 10.7270/Q2ZK5G0V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cruzipain (Trypanosoma cruzi) | BDBM50108852 (CHEMBL100849 | [(S)-1-((S)-1-Benzyl-2-oxo-3-phenet...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL 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) | BDBM50108852 (CHEMBL100849 | [(S)-1-((S)-1-Benzyl-2-oxo-3-phenet...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Affinity for cysteine protease (Cruzipain) of Chagas' disease | Bioorg Med Chem Lett 12: 2993-6 (2002) BindingDB Entry DOI: 10.7270/Q2W37VPP | |||||||||||
More data for this Ligand-Target Pair |