BDBM50108842 CHEMBL161116::Morpholine-4-carboxylic acid [1-(1-benzyl-3-tert-butylsulfanyl-2-oxo-propylcarbamoyl)-3-methyl-butyl]-amide::N-((S)-1-((S)-4-(tert-butylthio)-3-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-yl)morpholine-4-carboxamide
SMILES: CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C
InChI Key: InChIKey=RYSAYSVPZRGKCW-SFTDATJTSA-N
Data: 2 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) | BDBM50108842 (CHEMBL161116 | Morpholine-4-carboxylic acid [1-(1-...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 59.7 | 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) | BDBM50108842 (CHEMBL161116 | Morpholine-4-carboxylic acid [1-(1-...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 59.7 | 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 |