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BDBM50296457 1-(3,4-dihydroxyphenyl)-2-(4-(4-methoxyphenyl)-5-p-tolyl-4H-1,2,4-triazol-3-ylthio)ethanone::CHEMBL549785::cid_1401217

SMILES: COc1ccc(cc1)-n1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1

InChI Key: InChIKey=XEWGZYRVVVNRJY-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 = 50296457   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50296457
PNG
(1-(3,4-dihydroxyphenyl)-2-(4-(4-methoxyphenyl)-5-p...)
Show SMILES COc1ccc(cc1)-n1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1
Show InChI InChI=1S/C24H21N3O4S/c1-15-3-5-16(6-4-15)23-25-26-24(27(23)18-8-10-19(31-2)11-9-18)32-14-22(30)17-7-12-20(28)21(29)13-17/h3-13,28-29H,14H2,1-2H3
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PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50296457
PNG
(1-(3,4-dihydroxyphenyl)-2-(4-(4-methoxyphenyl)-5-p...)
Show SMILES COc1ccc(cc1)-n1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1
Show InChI InChI=1S/C24H21N3O4S/c1-15-3-5-16(6-4-15)23-25-26-24(27(23)18-8-10-19(31-2)11-9-18)32-14-22(30)17-7-12-20(28)21(29)13-17/h3-13,28-29H,14H2,1-2H3
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Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...


Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50296457
PNG
(1-(3,4-dihydroxyphenyl)-2-(4-(4-methoxyphenyl)-5-p...)
Show SMILES COc1ccc(cc1)-n1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1
Show InChI InChI=1S/C24H21N3O4S/c1-15-3-5-16(6-4-15)23-25-26-24(27(23)18-8-10-19(31-2)11-9-18)32-14-22(30)17-7-12-20(28)21(29)13-17/h3-13,28-29H,14H2,1-2H3
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Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Cdc25A (336-523) catalytic domain expressed in Escherichia coli after 20 mins by fluorescent plate reader...


Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50296457
PNG
(1-(3,4-dihydroxyphenyl)-2-(4-(4-methoxyphenyl)-5-p...)
Show SMILES COc1ccc(cc1)-n1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1
Show InChI InChI=1S/C24H21N3O4S/c1-15-3-5-16(6-4-15)23-25-26-24(27(23)18-8-10-19(31-2)11-9-18)32-14-22(30)17-7-12-20(28)21(29)13-17/h3-13,28-29H,14H2,1-2H3
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n/an/a 5.84E+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 (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair