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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50309563   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50309563
PNG
(2-(2-(3,4-dihydroxyphenyl)-2-oxoethylthio)-4-(meth...)
Show SMILES COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N
Show InChI InChI=1S/C17H16N2O4S/c1-10-5-12(8-23-2)13(7-18)17(19-10)24-9-16(22)11-3-4-14(20)15(21)6-11/h3-6,20-21H,8-9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.16E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Phospholipase A-2-activating protein


(Homo sapiens (Human))
BDBM50309563
PNG
(2-(2-(3,4-dihydroxyphenyl)-2-oxoethylthio)-4-(meth...)
Show SMILES COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N
Show InChI InChI=1S/C17H16N2O4S/c1-10-5-12(8-23-2)13(7-18)17(19-10)24-9-16(22)11-3-4-14(20)15(21)6-11/h3-6,20-21H,8-9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50309563
PNG
(2-(2-(3,4-dihydroxyphenyl)-2-oxoethylthio)-4-(meth...)
Show SMILES COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N
Show InChI InChI=1S/C17H16N2O4S/c1-10-5-12(8-23-2)13(7-18)17(19-10)24-9-16(22)11-3-4-14(20)15(21)6-11/h3-6,20-21H,8-9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 3.14E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MS3R5M
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)
BDBM50309563
PNG
(2-(2-(3,4-dihydroxyphenyl)-2-oxoethylthio)-4-(meth...)
Show SMILES COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N
Show InChI InChI=1S/C17H16N2O4S/c1-10-5-12(8-23-2)13(7-18)17(19-10)24-9-16(22)11-3-4-14(20)15(21)6-11/h3-6,20-21H,8-9H2,1-2H3
PDB
MMDB

KEGG

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B.MOAD
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n/an/a 3.71E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50309563
PNG
(2-(2-(3,4-dihydroxyphenyl)-2-oxoethylthio)-4-(meth...)
Show SMILES COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N
Show InChI InChI=1S/C17H16N2O4S/c1-10-5-12(8-23-2)13(7-18)17(19-10)24-9-16(22)11-3-4-14(20)15(21)6-11/h3-6,20-21H,8-9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50309563
PNG
(2-(2-(3,4-dihydroxyphenyl)-2-oxoethylthio)-4-(meth...)
Show SMILES COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N
Show InChI InChI=1S/C17H16N2O4S/c1-10-5-12(8-23-2)13(7-18)17(19-10)24-9-16(22)11-3-4-14(20)15(21)6-11/h3-6,20-21H,8-9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.82E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair