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BDBM41883 1-(3,4-dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone::1-(3,4-dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone::1-[3,4-bis(oxidanyl)phenyl]-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone::MLS-0315688.0001::cid_1314069

SMILES: COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)[nH]1

InChI Key: InChIKey=CYLSSQVEPVKJTQ-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 = 41883   
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 placental-like


(Homo sapiens (Human))
BDBM41883
PNG
(1-(3,4-dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-1H...)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)[nH]1
Show InChI InChI=1S/C17H15N3O4S/c1-24-15-5-3-2-4-11(15)16-18-17(20-19-16)25-9-14(23)10-6-7-12(21)13(22)8-10/h2-8,21-22H,9H2,1H3,(H,18,19,20)
PDB
MMDB

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PCBioAssay
n/an/a>3.13E+3n/an/an/an/an/an/a



Sanford-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/Q2JQ0ZDS
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM41883
PNG
(1-(3,4-dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-1H...)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)[nH]1
Show InChI InChI=1S/C17H15N3O4S/c1-24-15-5-3-2-4-11(15)16-18-17(20-19-16)25-9-14(23)10-6-7-12(21)13(22)8-10/h2-8,21-22H,9H2,1H3,(H,18,19,20)
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n/an/a 1.48E+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 (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM41883
PNG
(1-(3,4-dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-1H...)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)[nH]1
Show InChI InChI=1S/C17H15N3O4S/c1-24-15-5-3-2-4-11(15)16-18-17(20-19-16)25-9-14(23)10-6-7-12(21)13(22)8-10/h2-8,21-22H,9H2,1H3,(H,18,19,20)
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n/an/a 3.34E+3n/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