BDBM50003164 1-[3-(6-Hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]triazin-3-ylsulfanylmethyl)-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carbonyl]-pyrrolidine-2-carboxylic acid::CHEMBL333759
SMILES: CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N1CCCC1C(O)=O)=C(CSc1nc(=O)c(=O)[nH]n1C)CS2(=O)=O
InChI Key: InChIKey=MOELLVDCRQTWPD-PNBGKUOISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leukocyte elastase (Homo sapiens (Human)) | BDBM50003164 (1-[3-(6-Hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory activity against human leukocyte elastase | J Med Chem 35: 3731-44 (1992) BindingDB Entry DOI: 10.7270/Q2BP03D7 | |||||||||||
More data for this Ligand-Target Pair |