BDBM50116259 (S)-4-((3S,4S)-2-Acetylamino-3-methyl-pentanoylamino)-5-[2-((S)-(S)-2-carboxy-1-formyl-ethylcarbamoyl)-pyrrolidin-1-yl]-5-oxo-pentanoic acid::CHEMBL70602
SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C=O
InChI Key: InChIKey=JFFGRTYAQZRQMF-RWBKLUSOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Granzyme B (Homo sapiens (Human)) | BDBM50116259 ((S)-4-((3S,4S)-2-Acetylamino-3-methyl-pentanoylami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition against human granzyme B | Bioorg Med Chem Lett 12: 2197-200 (2002) BindingDB Entry DOI: 10.7270/Q2WH2P9X | |||||||||||
More data for this Ligand-Target Pair |