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BDBM74463 1-({[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetyl)-4-phenylpiperazine::2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone::2-[[5-(2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone::2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone::MLS000049711::SMR000077741::cid_1299192

SMILES: Cn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1-c1cc2ccccc2o1

InChI Key: InChIKey=NNWKQLTXMSTIAV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 74463   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74463
PNG
(1-({[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triaz...)
Show SMILES Cn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1-c1cc2ccccc2o1
Show InChI InChI=1S/C23H23N5O2S/c1-26-22(20-15-17-7-5-6-10-19(17)30-20)24-25-23(26)31-16-21(29)28-13-11-27(12-14-28)18-8-3-2-4-9-18/h2-10,15H,11-14,16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>7.94E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74463
PNG
(1-({[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triaz...)
Show SMILES Cn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1-c1cc2ccccc2o1
Show InChI InChI=1S/C23H23N5O2S/c1-26-22(20-15-17-7-5-6-10-19(17)30-20)24-25-23(26)31-16-21(29)28-13-11-27(12-14-28)18-8-3-2-4-9-18/h2-10,15H,11-14,16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>7.94E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM74463
PNG
(1-({[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triaz...)
Show SMILES Cn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1-c1cc2ccccc2o1
Show InChI InChI=1S/C23H23N5O2S/c1-26-22(20-15-17-7-5-6-10-19(17)30-20)24-25-23(26)31-16-21(29)28-13-11-27(12-14-28)18-8-3-2-4-9-18/h2-10,15H,11-14,16H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>7.94E+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/Q2VQ314Z
More data for this
Ligand-Target Pair