null
SMILES: O=c1oc(SCc2ccccc2)nc2sc3CCCCc3c12
InChI Key: InChIKey=ISALCKGNADJTLY-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neutrophil elastase (Homo sapiens (Human)) | BDBM50064323 (2-Benzylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thie...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 290 | n/a | n/a | n/a | n/a | 0.0000692 | 239 | n/a | n/a |
University of Leipzig Curated by ChEMBL | Assay Description Steady state inhibition constant for Human Leukocyte Elastase inhibition | J Med Chem 41: 1729-40 (1998) Article DOI: 10.1021/jm9708341 BindingDB Entry DOI: 10.7270/Q2QV3KNF | |||||||||||
More data for this Ligand-Target Pair |