BDBM55631 (E)-2-cyano-3-[(3E)-3-[4-(diethylamino)benzylidene]-2-morpholino-cyclopenten-1-yl]-N-(2-fluorophenyl)acrylamide::(E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-(4-morpholinyl)-1-cyclopentenyl]-N-(2-fluorophenyl)-2-propenamide::(E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-cyclopenten-1-yl]-N-(2-fluorophenyl)prop-2-enamide::(E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(2-fluorophenyl)prop-2-enamide::MLS000391884::SMR000260917::cid_6061423
SMILES: CCN(CC)c1ccc(\C=C2/CCC(\C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1
InChI Key: InChIKey=BZVIQTMIXILUQA-DJCYKTPPSA-N
Data: 1 IC50
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 cytosolic factor 1 (Homo sapiens (Human)) | BDBM55631 ((E)-2-cyano-3-[(3E)-3-[4-(diethylamino)benzylidene...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723 | |||||||||||
More data for this Ligand-Target Pair |