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BDBM76242 2-phenoxyacetic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester::2-phenoxyacetic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester::MLS002171146::SMR001251444::[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-phenoxyethanoate::[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate::cid_4274507

SMILES: [O-][N+](=O)c1cnc(NC(=O)COC(=O)COc2ccccc2)s1

InChI Key: InChIKey=MYGVCLCQXLGEHR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 76242   
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))
BDBM76242
PNG
(2-phenoxyacetic acid [2-[(5-nitro-2-thiazolyl)amin...)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)COC(=O)COc2ccccc2)s1
Show InChI InChI=1S/C13H11N3O6S/c17-10(15-13-14-6-11(23-13)16(19)20)7-22-12(18)8-21-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM76242
PNG
(2-phenoxyacetic acid [2-[(5-nitro-2-thiazolyl)amin...)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)COC(=O)COc2ccccc2)s1
Show InChI InChI=1S/C13H11N3O6S/c17-10(15-13-14-6-11(23-13)16(19)20)7-22-12(18)8-21-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Alpi


(Rattus norvegicus (Rat))
BDBM76242
PNG
(2-phenoxyacetic acid [2-[(5-nitro-2-thiazolyl)amin...)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)COC(=O)COc2ccccc2)s1
Show InChI InChI=1S/C13H11N3O6S/c17-10(15-13-14-6-11(23-13)16(19)20)7-22-12(18)8-21-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15,17)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 674n/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
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM76242
PNG
(2-phenoxyacetic acid [2-[(5-nitro-2-thiazolyl)amin...)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)COC(=O)COc2ccccc2)s1
Show InChI InChI=1S/C13H11N3O6S/c17-10(15-13-14-6-11(23-13)16(19)20)7-22-12(18)8-21-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.19E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76242
PNG
(2-phenoxyacetic acid [2-[(5-nitro-2-thiazolyl)amin...)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)COC(=O)COc2ccccc2)s1
Show InChI InChI=1S/C13H11N3O6S/c17-10(15-13-14-6-11(23-13)16(19)20)7-22-12(18)8-21-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15,17)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.72E+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/Q2H130G1
More data for this
Ligand-Target Pair