BDBM50281052 (2S,5R,6S)-3,3-Dimethyl-4,7-dioxo-6-(2,2,2-trifluoro-acetylamino)-4lambda*4*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid 4-carboxy-benzyl ester::CHEMBL306565
SMILES: CC1(C)[C@@H](N2[C@@H]([C@@H](NC(=O)C(F)(F)F)C2=O)S1=O)C(=O)OCc1ccc(cc1)C(O)=O
InChI Key: InChIKey=HYTOKNLQLLPGDS-HBPKADOHSA-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)) | BDBM50281052 ((2S,5R,6S)-3,3-Dimethyl-4,7-dioxo-6-(2,2,2-trifluo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested in vitro for its inhibitory effect against Elastase using Suc-Ala--Ala-Pro-Ala-pNA as substrate | Bioorg Med Chem Lett 3: 2289-2294 (1993) Article DOI: 10.1016/S0960-894X(01)80941-0 BindingDB Entry DOI: 10.7270/Q2NC614S | |||||||||||
More data for this Ligand-Target Pair |