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BDBM46342 3-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one::3-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one::3-[[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]methyl]-1,2,3-benzotriazin-4-one::3-[[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]-1,2,3-benzotriazin-4-one::MLS000053815::SMR000068268::cid_2546259

SMILES: COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O

InChI Key: InChIKey=HLDJHWGOBLAADY-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 = 46342   
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
STAT3


(Homo sapiens (Human))
BDBM46342
PNG
(3-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol...)
Show SMILES COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O
Show InChI InChI=1S/C17H15N7O2S/c1-11-7-8-15(26-2)14(9-11)24-17(19-20-22-24)27-10-23-16(25)12-5-3-4-6-13(12)18-21-23/h3-9H,10H2,1-2H3
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.58E+3n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM46342
PNG
(3-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol...)
Show SMILES COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O
Show InChI InChI=1S/C17H15N7O2S/c1-11-7-8-15(26-2)14(9-11)24-17(19-20-22-24)27-10-23-16(25)12-5-3-4-6-13(12)18-21-23/h3-9H,10H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.60E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2V40ST1
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM46342
PNG
(3-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol...)
Show SMILES COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O
Show InChI InChI=1S/C17H15N7O2S/c1-11-7-8-15(26-2)14(9-11)24-17(19-20-22-24)27-10-23-16(25)12-5-3-4-6-13(12)18-21-23/h3-9H,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.60E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM46342
PNG
(3-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol...)
Show SMILES COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O
Show InChI InChI=1S/C17H15N7O2S/c1-11-7-8-15(26-2)14(9-11)24-17(19-20-22-24)27-10-23-16(25)12-5-3-4-6-13(12)18-21-23/h3-9H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.57E+4n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935ZR
More data for this
Ligand-Target Pair