BDBM50554503 CHEMBL1482091::US11634391, Compound 29

SMILES OCc1cn(nn1)-c1ccc(Cl)cc1

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

Found 4 hits for monomerid = 50554503   

TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50554503(CHEMBL1482091 | US11634391, Compound 29)
Affinity DataIC50: 1.15E+4nMAssay 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
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50554503(CHEMBL1482091 | US11634391, Compound 29)
Affinity DataIC50: 1.52E+4nMAssay Description:An Echo liquid handler was used to acoustically dispense 500 nL of compounds into dry Greiner 384-well plates (catalog #781076), followed by 25 μ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2023
Entry Details
Go to US Patent

TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50554503(CHEMBL1482091 | US11634391, Compound 29)
Affinity DataIC50: 1.20E+4nMAssay 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
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50554503(CHEMBL1482091 | US11634391, Compound 29)
Affinity DataIC50: 1.20E+4nMAssay 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:
6/25/2023
Entry Details
PubMed