BDBM50108849 CHEMBL321974::{(S)-3-Methyl-1-[(S)-2-oxo-1-phenethyl-3-(3-phenyl-propylsulfanyl)-propylcarbamoyl]-butyl}-carbamic acid pyridin-3-ylmethyl ester::{3-Methyl-1-[2-oxo-1-phenethyl-3-(3-phenyl-propylsulfanyl)-propylcarbamoyl]-butyl}-carbamic acid pyridin-3-ylmethyl ester
SMILES: CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1
InChI Key: InChIKey=ZFHURWWCUFDMNR-KYJUHHDHSA-N
Data: 6 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) | BDBM50108849 (CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10 | 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) | BDBM50108849 (CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10 | 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 | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50108849 (CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 144 | 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 human Cathepsin L | Bioorg Med Chem Lett 12: 2993-6 (2002) BindingDB Entry DOI: 10.7270/Q2W37VPP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50108849 (CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 144 | 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 of the compound against human Cathepsin L | J Med Chem 45: 676-84 (2002) BindingDB Entry DOI: 10.7270/Q2ZK5G0V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50108849 (CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.70E+3 | 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 human Cathepsin B | Bioorg Med Chem Lett 12: 2993-6 (2002) BindingDB Entry DOI: 10.7270/Q2W37VPP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50108849 (CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.70E+3 | 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 of the compound against human Cathepsin B | J Med Chem 45: 676-84 (2002) BindingDB Entry DOI: 10.7270/Q2ZK5G0V | |||||||||||
More data for this Ligand-Target Pair |