BDBM41892 1-(3,4-dihydroxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone::1-(3,4-dihydroxyphenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone::1-[3,4-bis(oxidanyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone::2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone::MLS-0297802.0001::cid_1400947

SMILES Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccnc2)n1CC=C

InChI Key InChIKey=GBUCPNITJSNYNF-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 41892   

TargetAlkaline phosphatase, germ cell type(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41892(1-[3,4-bis(oxidanyl)phenyl]-2-[(4-prop-2-enyl-5-py...)
Affinity DataIC50: 4.04E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41892(1-[3,4-bis(oxidanyl)phenyl]-2-[(4-prop-2-enyl-5-py...)
Affinity DataIC50: 2.22E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41892(1-[3,4-bis(oxidanyl)phenyl]-2-[(4-prop-2-enyl-5-py...)
Affinity DataIC50: 2.92E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41892(1-[3,4-bis(oxidanyl)phenyl]-2-[(4-prop-2-enyl-5-py...)
Affinity DataIC50: 9.37E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetBcl-2-like protein 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41892(1-[3,4-bis(oxidanyl)phenyl]-2-[(4-prop-2-enyl-5-py...)
Affinity DataIC50: 1.09E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetPC4 and SFRS1-interacting protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41892(1-[3,4-bis(oxidanyl)phenyl]-2-[(4-prop-2-enyl-5-py...)
Affinity DataIC50: 7.60E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2014
Entry Details
PCBioAssay
TargetPC4 and SFRS1-interacting protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41892(1-[3,4-bis(oxidanyl)phenyl]-2-[(4-prop-2-enyl-5-py...)
Affinity DataIC50: 2.39E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2014
Entry Details
PCBioAssay