BDBM50543229 CHEMBL4637220

SMILES c1cc(c(cc1N2CC[C@@H](C2)C(=O)O)C(F)(F)F)Cl

InChI Key InChIKey=XTYYFZCQCKEYKG-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50543229   

TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50543229(CHEMBL4637220)
Affinity DataIC50: 110nMAssay Description:Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate incubated for 40 mins by fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50543229(CHEMBL4637220)
Affinity DataIC50: 110nMAssay 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
LigandPNGBDBM50543229(CHEMBL4637220)
Affinity DataIC50: 110nMAssay 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)