BDBM50089097 CHEMBL21028::Met-Phe-Leu-Glu-Ala-Ile-Pro-Lys
SMILES: CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(O)=O
InChI Key: InChIKey=BMCNEOWSQMCXEF-VHHMVNDDSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypsin-1 (Homo sapiens (Human)) | BDBM50089097 (CHEMBL21028 | Met-Phe-Leu-Glu-Ala-Ile-Pro-Lys) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Oxford Centre for Molecular Sciences Curated by ChEMBL | Assay Description Competitive inhibition constant of the compound was tested against trypsin using the reporter substrate Ac-R-pNa | Bioorg Med Chem Lett 10: 1219-21 (2000) BindingDB Entry DOI: 10.7270/Q2FQ9VTD | |||||||||||
More data for this Ligand-Target Pair |