BDBM96914 1-[(E)-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-ethylthiourea::1-[(E)-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-ethyl-thiourea::1-[(E)-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-ethyl-thiourea::1-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-ethylthiourea::MLS001033073::SMR000385529::cid_6904296

SMILES O=C(Nc1nnc(OCc2ccc(Cl)cc2)s1)c1ccncc1N1C2CCC1COC2

InChI Key InChIKey=ZLCZLOPVTKAENK-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 1 hit for monomerid = 96914   

TargetDNA polymerase theta [1-899](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96914BDBM96914(N-[5-[(4-chlorophenyl)methoxy]-1,3,4- thiadiazol-2...)
Affinity DataIC50: 200nMAssay 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