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BDBM50144572 CHEMBL3759635

SMILES: OC(=O)c1cc2CCc3c(cccc3-c2s1)C#N

InChI Key: InChIKey=BDLWMEDOSVLQIN-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50144572   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))
BDBM50144572
PNG
(CHEMBL3759635)
Show SMILES OC(=O)c1cc2CCc3c(cccc3-c2s1)C#N
Show InChI InChI=1S/C14H9NO2S/c15-7-9-2-1-3-11-10(9)5-4-8-6-12(14(16)17)18-13(8)11/h1-3,6H,4-5H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 82n/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human notum pectinacetylesterase expressed in 293F cells by TCF/LEF CellSensor assay


Bioorg Med Chem Lett 26: 1184-7 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3PBN
More data for this
Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM


(Mus musculus)
BDBM50144572
PNG
(CHEMBL3759635)
Show SMILES OC(=O)c1cc2CCc3c(cccc3-c2s1)C#N
Show InChI InChI=1S/C14H9NO2S/c15-7-9-2-1-3-11-10(9)5-4-8-6-12(14(16)17)18-13(8)11/h1-3,6H,4-5H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 67n/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of mouse notum pectinacetylesterase expressed in 293F cells by TCF/LEF CellSensor assay


Bioorg Med Chem Lett 26: 1184-7 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3PBN
More data for this
Ligand-Target Pair