BDBM74449 8-bromanyl-4-piperidin-1-yl-pyrimido[4,5-b][1,4]benzoxazepine::8-bromo-4-(1-piperidinyl)pyrimido[4,5-b][1,4]benzoxazepine::8-bromo-4-piperidin-1-ylpyrimido[4,5-b][1,4]benzoxazepine::8-bromo-4-piperidino-pyrimido[4,5-b][1,4]benzoxazepine::MLS000079250::SMR000039282::cid_658364

SMILES Brc1ccc2Oc3ncnc(N4CCCCC4)c3N=Cc2c1

InChI Key InChIKey=PSVJMJZHURBTDI-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 = 74449   

TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM74449(8-bromanyl-4-piperidin-1-yl-pyrimido[4,5-b][1,4]be...)
Affinity DataIC50: >7.94E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM74449(8-bromanyl-4-piperidin-1-yl-pyrimido[4,5-b][1,4]be...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM74449(8-bromanyl-4-piperidin-1-yl-pyrimido[4,5-b][1,4]be...)
Affinity DataIC50: >7.94E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM74449(8-bromanyl-4-piperidin-1-yl-pyrimido[4,5-b][1,4]be...)
Affinity DataIC50: >7.94E+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