BDBM114384 2-[(2-phenyl-4-quinazolinyl)thio]propanoic acid ethyl ester::2-[(2-phenylquinazolin-4-yl)thio]propionic acid ethyl ester::MLS000687054::SMR000284159::cid_3167727::ethyl 2-(2-phenylquinazolin-4-yl)sulfanylpropanoate

SMILES CCc1nc2n(Cc3ccc([S@](C)(=N)=O)cc3)cc(C(C)C)c(=O)n2n1

InChI Key InChIKey=FRQWOKKDQPYFGE-UHFFFAOYSA-N

Data  1 IC50

  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 3 hits for monomerid = 114384   

TargetCarbonic anhydrase 1(Human)
RE Ventures I

US Patent
LigandChemical structure of BindingDB Monomer ID 114384BDBM114384(US20260001886, Compound 31B)
Affinity DataKd: >1.00E+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:
5/13/2026
Entry Details
US Patent

LigandChemical structure of BindingDB Monomer ID 114384BDBM114384(US20260001886, Compound 31B)
Affinity DataEC50:  1.00E+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:
5/13/2026
Entry Details
US Patent

TargetCarbonic anhydrase 2(Human)
RE Ventures I

US Patent
LigandChemical structure of BindingDB Monomer ID 114384BDBM114384(US20260001886, Compound 31B)
Affinity DataKd: >1.00E+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:
5/13/2026
Entry Details
US Patent