BDBM50554460 CHEMBL4788846

SMILES c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl

InChI Key InChIKey=SBBOPUCCCOEMDA-UHFFFAOYSA-N

Data  7 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  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 8 hits for monomerid = 50554460   

TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50554460(CHEMBL4788846)
Affinity DataIC50: 18nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50554460(CHEMBL4788846)
Affinity DataEC50:  3.50E+3nMAssay Description:Inhibition of NOTUM in human HEK293S cells harbouring TCF/LEF luciferase reporter gene assessed as activation wnt signalling pathway incubated for 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50554460(CHEMBL4788846)
Affinity DataIC50: 1.66E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50554460(CHEMBL4788846)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50554460(CHEMBL4788846)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50554460(CHEMBL4788846)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50554460(CHEMBL4788846)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50554460(CHEMBL4788846)
Affinity DataIC50: 18nMAssay Description:Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S cells using OPTS as substrate incubated for 40 mins by fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)