BDBM50475 3-[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-3-(2-ketochromen-3-yl)pyrazol-1-yl]propionic acid::3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanoic acid::3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanoic acid::3-[4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-3-(2-oxo-2H-chromen-3-yl)-1H-pyrazol-1-yl]propanoic acid::3-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]propanoic acid::MLS000626748::SMR000299129::cid_2176412

SMILES [#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cc2ccccc2oc1=O

InChI Key InChIKey=LJKVWAWDRLURJW-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50475   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50475(3-[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl...)
Affinity DataIC50:  3.42E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50475(3-[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl...)
Affinity DataIC50:  1.30E+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
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50475(3-[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl...)
Affinity DataIC50:  1.78E+4nMAssay Description:Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAmyloid-beta A4 precursor protein-binding family A member 1(Rattus norvegicus)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50475(3-[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl...)
Affinity DataIC50:  6.27E+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 DepthDetails PCBioAssay