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BDBM76221 MLS001096126::N-(2-ethoxybenzyl)-3-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonylamino]propionamide::N-[(2-ethoxyphenyl)methyl]-3-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide::N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide::SMR000631062::cid_24793730

SMILES: CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1

InChI Key: InChIKey=RNYQKAKPXGJWAW-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 76221   
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))
BDBM76221
PNG
(MLS001096126 | N-(2-ethoxybenzyl)-3-[(2-keto-3H-1,...)
Show SMILES CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C19H21N3O6S/c1-2-27-16-6-4-3-5-13(16)12-20-18(23)9-10-21-29(25,26)14-7-8-15-17(11-14)28-19(24)22-15/h3-8,11,21H,2,9-10,12H2,1H3,(H,20,23)(H,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

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
Alpi


(Rattus norvegicus (Rat))
BDBM76221
PNG
(MLS001096126 | N-(2-ethoxybenzyl)-3-[(2-keto-3H-1,...)
Show SMILES CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C19H21N3O6S/c1-2-27-16-6-4-3-5-13(16)12-20-18(23)9-10-21-29(25,26)14-7-8-15-17(11-14)28-19(24)22-15/h3-8,11,21H,2,9-10,12H2,1H3,(H,20,23)(H,22,24)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.65E+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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76221
PNG
(MLS001096126 | N-(2-ethoxybenzyl)-3-[(2-keto-3H-1,...)
Show SMILES CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C19H21N3O6S/c1-2-27-16-6-4-3-5-13(16)12-20-18(23)9-10-21-29(25,26)14-7-8-15-17(11-14)28-19(24)22-15/h3-8,11,21H,2,9-10,12H2,1H3,(H,20,23)(H,22,24)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.27E+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
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76221
PNG
(MLS001096126 | N-(2-ethoxybenzyl)-3-[(2-keto-3H-1,...)
Show SMILES CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C19H21N3O6S/c1-2-27-16-6-4-3-5-13(16)12-20-18(23)9-10-21-29(25,26)14-7-8-15-17(11-14)28-19(24)22-15/h3-8,11,21H,2,9-10,12H2,1H3,(H,20,23)(H,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair