BDBM96709 (phenylmethyl) N'-(propan-2-ylideneamino)carbamimidothioate::2-benzyl-3-(isopropylideneamino)isothiourea::MLS001032917::N'-(propan-2-ylideneamino)carbamimidothioic acid (phenylmethyl) ester::SMR000363448::benzyl N'-(propan-2-ylideneamino)carbamimidothioate::cid_5385994

SMILES Cc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cc(Nc2cc(CCc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3F)[nH]n2)n1

InChI Key InChIKey=ZHJCYEBLKNGOLT-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 = 96709   

TargetTyrosine-protein kinase Fyn(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96709BDBM96709(N-(3-(2-(3-((6-(((2S,6R)-2,6-dimethylmorpholino)me...)
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

TargetVascular endothelial growth factor receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96709BDBM96709(N-(3-(2-(3-((6-(((2S,6R)-2,6-dimethylmorpholino)me...)
Affinity DataIC50: 12nMAssay 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