BDBM114736 (E)-3-(4-fluoroanilino)-1-(2-thienyl)prop-2-en-1-one::(E)-3-(4-fluoroanilino)-1-thiophen-2-yl-2-propen-1-one::(E)-3-(4-fluoroanilino)-1-thiophen-2-ylprop-2-en-1-one::(E)-3-[(4-fluorophenyl)amino]-1-thiophen-2-yl-prop-2-en-1-one::3-[(4-fluorophenyl)amino]-1-(2-thienyl)-2-propen-1-one::MLS000580171::SMR000199702::cid_2204617

SMILES CCC(c1ncc(C(F)F)cn1)N(C)c1nc2c(c(C#N)nn2C(C)c2ccc(C(F)(F)F)nc2)c(=O)[nH]1

InChI Key InChIKey=UZJLEZYVNYVIND-UHFFFAOYSA-N

Data  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 114736   

TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114736BDBM114736(6-[1-[5- (difluoromethyl) pyrimidin-2- yl]propyl- ...)
Affinity DataKi:  1.57nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2026
Entry Details
US Patent