BDBM50659384 CHEMBL6164518

SMILES COc1ccc(C=Nn2c(S)nnc2-c2cnn(-c3ccc(S(C)(=O)=O)cc3)c2C)cc1OC

InChI Key InChIKey=OOTXQYMRZHCTQX-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50659384   

TargetEpidermal growth factor receptor(Human)
Beni-Suef University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50659384BDBM50659384(CHEMBL6164518)
Affinity DataIC50: 135nMAssay Description:Inhibition of human EGFR T790M mutant by Kinase-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Beni-Suef University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50659384BDBM50659384(CHEMBL6164518)
Affinity DataIC50: 216nMAssay Description:Inhibition of human wild-type EGFR by Kinase-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetProstaglandin G/H synthase 2(Human)
Beni-Suef University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50659384BDBM50659384(CHEMBL6164518)
Affinity DataIC50: 560nMAssay Description:Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate by fluorescence based analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetProstaglandin G/H synthase 1(Human)
Beni-Suef University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50659384BDBM50659384(CHEMBL6164518)
Affinity DataIC50: 1.45E+4nMAssay Description:Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate by fluorescence based analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed