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BDBM50154397 CHEMBL3774760

SMILES: OC(=O)CSc1ncnc2c(C3CC3)c(Cl)sc12

InChI Key: InChIKey=LJYRIWUQISYYHA-UHFFFAOYSA-N

Data: 2 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 50154397   
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


(Mus musculus)
BDBM50154397
PNG
(CHEMBL3774760)
Show SMILES OC(=O)CSc1ncnc2c(C3CC3)c(Cl)sc12
Show InChI InChI=1S/C11H9ClN2O2S2/c12-10-7(5-1-2-5)8-9(18-10)11(14-4-13-8)17-3-6(15)16/h4-5H,1-3H2,(H,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 55n/an/an/an/a



Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse notum pectinacetylesterase expressed in 293F cells after 30 mins by TCF/LEF cell sensor assay


Bioorg Med Chem Lett 26: 1525-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.021
BindingDB Entry DOI: 10.7270/Q26W9CZZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))
BDBM50154397
PNG
(CHEMBL3774760)
Show SMILES OC(=O)CSc1ncnc2c(C3CC3)c(Cl)sc12
Show InChI InChI=1S/C11H9ClN2O2S2/c12-10-7(5-1-2-5)8-9(18-10)11(14-4-13-8)17-3-6(15)16/h4-5H,1-3H2,(H,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 21n/an/an/an/a



Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human notum pectinacetylesterase expressed in 293F cells after 30 mins by TCF/LEF cell sensor assay


Bioorg Med Chem Lett 26: 1525-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.021
BindingDB Entry DOI: 10.7270/Q26W9CZZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)