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SMILES: COC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1

InChI Key: InChIKey=AXSANZPLIQVYDN-UHFFFAOYSA-N

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 = 50454039   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50454039
PNG
(CHEMBL4206067)
Show SMILES COC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1
Show InChI InChI=1S/C14H13ClN2O5S/c1-21-12-4-3-10(15)6-13(12)23(19,20)17-11-5-9(7-16-8-11)14(18)22-2/h3-8,17H,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50454039
PNG
(CHEMBL4206067)
Show SMILES COC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1
Show InChI InChI=1S/C14H13ClN2O5S/c1-21-12-4-3-10(15)6-13(12)23(19,20)17-11-5-9(7-16-8-11)14(18)22-2/h3-8,17H,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) in whole blood using pNPP as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
More data for this
Ligand-Target Pair