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BDBM76214 CHEMBL1322977::MLS001096094::N-(2,5-dimethylphenyl)-3-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonylamino]propionamide::N-(2,5-dimethylphenyl)-3-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide::N-(2,5-dimethylphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide::SMR000631039::cid_24790980

SMILES: Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1

InChI Key: InChIKey=YRWQWBOBZZVLQY-UHFFFAOYSA-N

Data: 6 IC50  1 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 7 hits for monomerid = 76214   
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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76214
PNG
(CHEMBL1322977 | MLS001096094 | N-(2,5-dimethylphen...)
Show SMILES Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C18H19N3O5S/c1-11-3-4-12(2)15(9-11)20-17(22)7-8-19-27(24,25)13-5-6-14-16(10-13)26-18(23)21-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
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KEGG

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.00E+5n/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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76214
PNG
(CHEMBL1322977 | MLS001096094 | N-(2,5-dimethylphen...)
Show SMILES Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C18H19N3O5S/c1-11-3-4-12(2)15(9-11)20-17(22)7-8-19-27(24,25)13-5-6-14-16(10-13)26-18(23)21-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
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KEGG

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n/an/an/an/a>1.00E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2SJ1J25
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76214
PNG
(CHEMBL1322977 | MLS001096094 | N-(2,5-dimethylphen...)
Show SMILES Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C18H19N3O5S/c1-11-3-4-12(2)15(9-11)20-17(22)7-8-19-27(24,25)13-5-6-14-16(10-13)26-18(23)21-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
KEGG

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n/an/a 2.26E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Mus musculus)
BDBM76214
PNG
(CHEMBL1322977 | MLS001096094 | N-(2,5-dimethylphen...)
Show SMILES Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C18H19N3O5S/c1-11-3-4-12(2)15(9-11)20-17(22)7-8-19-27(24,25)13-5-6-14-16(10-13)26-18(23)21-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Alkaline phosphatase placental type


(Homo sapiens (Human))
BDBM76214
PNG
(CHEMBL1322977 | MLS001096094 | N-(2,5-dimethylphen...)
Show SMILES Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C18H19N3O5S/c1-11-3-4-12(2)15(9-11)20-17(22)7-8-19-27(24,25)13-5-6-14-16(10-13)26-18(23)21-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PLAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76214
PNG
(CHEMBL1322977 | MLS001096094 | N-(2,5-dimethylphen...)
Show SMILES Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C18H19N3O5S/c1-11-3-4-12(2)15(9-11)20-17(22)7-8-19-27(24,25)13-5-6-14-16(10-13)26-18(23)21-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
KEGG

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PC cid
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged TNAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76214
PNG
(CHEMBL1322977 | MLS001096094 | N-(2,5-dimethylphen...)
Show SMILES Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C18H19N3O5S/c1-11-3-4-12(2)15(9-11)20-17(22)7-8-19-27(24,25)13-5-6-14-16(10-13)26-18(23)21-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
PDB

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n/an/a 5.21E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair