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BDBM55601 1-(2,3-dihydroindol-1-yl)-2-[[(5E)-4-(4-ethoxyphenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]ethanone::1-(2,3-dihydroindol-1-yl)-2-[[(5E)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone::1-indolin-1-yl-2-[[(5E)-5-indol-3-ylidene-4-p-phenetyl-1H-1,2,4-triazol-3-yl]thio]ethanone::MLS000724638::SMR000237500::cid_6161440

SMILES: CCOc1ccc(cc1)-n1c(SCC(=O)N2CCc3ccccc23)nnc1-c1c[nH]c2ccccc12

InChI Key: InChIKey=RZODWLFHOZGYSH-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 55601   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM55601
PNG
(1-(2,3-dihydroindol-1-yl)-2-[[(5E)-4-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-n1c(SCC(=O)N2CCc3ccccc23)nnc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H25N5O2S/c1-2-35-21-13-11-20(12-14-21)33-27(23-17-29-24-9-5-4-8-22(23)24)30-31-28(33)36-18-26(34)32-16-15-19-7-3-6-10-25(19)32/h3-14,17,29H,2,15-16,18H2,1H3
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PCBioAssay
n/an/a 3.72E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM55601
PNG
(1-(2,3-dihydroindol-1-yl)-2-[[(5E)-4-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-n1c(SCC(=O)N2CCc3ccccc23)nnc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H25N5O2S/c1-2-35-21-13-11-20(12-14-21)33-27(23-17-29-24-9-5-4-8-22(23)24)30-31-28(33)36-18-26(34)32-16-15-19-7-3-6-10-25(19)32/h3-14,17,29H,2,15-16,18H2,1H3
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n/an/a 730n/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/Q2Z60MHJ
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM55601
PNG
(1-(2,3-dihydroindol-1-yl)-2-[[(5E)-4-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-n1c(SCC(=O)N2CCc3ccccc23)nnc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H25N5O2S/c1-2-35-21-13-11-20(12-14-21)33-27(23-17-29-24-9-5-4-8-22(23)24)30-31-28(33)36-18-26(34)32-16-15-19-7-3-6-10-25(19)32/h3-14,17,29H,2,15-16,18H2,1H3
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n/an/a 556n/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/Q23R0RBQ
More data for this
Ligand-Target Pair