BDBM23727 N,N-bis(cyanomethyl)-3,4-dimethoxybenzamide::N,N-bis(cyanomethyl)-3,4-dimethoxybenzamide, 11
SMILES: COc1ccc(cc1OC)C(=O)N(CC#N)CC#N
InChI Key: InChIKey=GZUJYYKDHAQDKU-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)) | BDBM23727 (N,N-bis(cyanomethyl)-3,4-dimethoxybenzamide | N,N-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 290 | -8.91 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Montana State University | Assay Description HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer... | J Med Chem 50: 4928-38 (2007) Article DOI: 10.1021/jm070600+ BindingDB Entry DOI: 10.7270/Q2ST7N5S | |||||||||||
More data for this Ligand-Target Pair |