BDBM50318710 (2S,15S,18S,21S,24S)-2,15-dibenzyl-24-carbamoyl-18,21-diisobutyl-25-methyl-4,7,10,13,16,19,22-heptaoxo-3,6,9,14,17,20,23-heptaazahexacos-11-en-1-oic acid::CHEMBL1086429
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O
InChI Key: InChIKey=FBWRCRYYBACCOH-KCCKNQBXSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rhodesain (Trypanosoma brucei rhodesiense) | BDBM50318710 ((2S,15S,18S,21S,24S)-2,15-dibenzyl-24-carbamoyl-18...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Duisburg-Essen Curated by ChEMBL | Assay Description Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain | J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50318710 ((2S,15S,18S,21S,24S)-2,15-dibenzyl-24-carbamoyl-18...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Duisburg-Essen Curated by ChEMBL | Assay Description Inhibition of human liver cathepsin B | J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin L (Bos taurus (bovine)) | BDBM50318710 ((2S,15S,18S,21S,24S)-2,15-dibenzyl-24-carbamoyl-18...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Duisburg-Essen Curated by ChEMBL | Assay Description Inhibition of bovine spleen cathepsin L | J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S | |||||||||||
More data for this Ligand-Target Pair |