BDBM50036095 2-[5-Cyclohexanesulfonylamino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-[2-methyl-1-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-propyl]-acetamide::CHEMBL11099
SMILES: CC(C)C(NC(=O)Cn1c(ncc(NS(=O)(=O)C2CCCCC2)c1=O)-c1ccc(F)cc1)B1OC(C)(C)C(C)(C)O1
InChI Key: InChIKey=ZVOSKJOTPPNLCO-UHFFFAOYSA-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)) | BDBM50036095 (2-[5-Cyclohexanesulfonylamino-2-(4-fluoro-phenyl)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA | J Med Chem 38: 98-108 (1995) BindingDB Entry DOI: 10.7270/Q2JW8CX7 | |||||||||||
More data for this Ligand-Target Pair |