BDBM96698 (2E)-4-[(1-methyl-2-phenylethyl)amino]-4-oxobut-2-enoic acid::(E)-4-keto-4-[(1-methyl-2-phenyl-ethyl)amino]but-2-enoic acid::(E)-4-oxidanylidene-4-(1-phenylpropan-2-ylamino)but-2-enoic acid::(E)-4-oxo-4-(1-phenylpropan-2-ylamino)-2-butenoic acid::(E)-4-oxo-4-(1-phenylpropan-2-ylamino)but-2-enoic acid::MLS000685467::SMR000312431::cid_5716919

SMILES CCN1Cc2cnc(Nc3cc(CCc4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)n[nH]3)cc2C1

InChI Key InChIKey=PBKAUTSUBNRJGW-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 96698   

TargetTyrosine-protein kinase Fyn(Human)
Rottapharm Biotech

US Patent
LigandChemical structure of BindingDB Monomer ID 96698BDBM96698(N-(3-(2-(5-((2-ethyl-2,3-dihydro-1H-pyrrolo[3,4-c]...)
Affinity DataIC50: 8nMAssay 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:
5/11/2026
Entry Details
US Patent

TargetVascular endothelial growth factor receptor 2(Human)
Rottapharm Biotech

US Patent
LigandChemical structure of BindingDB Monomer ID 96698BDBM96698(N-(3-(2-(5-((2-ethyl-2,3-dihydro-1H-pyrrolo[3,4-c]...)
Affinity DataIC50: 10nMAssay 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:
5/11/2026
Entry Details
US Patent