BDBM40513 5-[[[1-(4-fluorophenyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]furan-2-carboxylic acid methyl ester::5-[[[1-(4-fluorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-2-furancarboxylic acid methyl ester::MLS000044288::SMR000015934::cid_2058657::methyl 5-[[1-(4-fluorophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate::methyl 5-[[1-(4-fluorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate

SMILES COC(=O)c1ccc(CSc2nc3n(ncc3c(=O)[nH]2)-c2ccc(F)cc2)o1

InChI Key InChIKey=WBNJIAXFCSKQCF-UHFFFAOYSA-N

Data  3 EC50

  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 3 hits for monomerid = 40513   

TargetEstrogen receptor(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40513(5-[[[1-(4-fluorophenyl)-4-keto-2H-pyrazolo[3,4-d]p...)
Affinity DataEC50:  1.29E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCorticotropin-releasing factor-binding protein(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40513(5-[[[1-(4-fluorophenyl)-4-keto-2H-pyrazolo[3,4-d]p...)
Affinity DataEC50: >5.30E+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 DepthDetails PCBioAssay
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM40513(5-[[[1-(4-fluorophenyl)-4-keto-2H-pyrazolo[3,4-d]p...)
Affinity DataEC50:  0.00249nMAssay Description:Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay