BDBM39051 4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine::4-(azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine::MLS000100816::SMR000017482::cid_3702591

SMILES Clc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCCCC1

InChI Key InChIKey=XJIJEUCZMMGFGF-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 39051   

TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39051(4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]py...)
Affinity DataIC50:  3.19E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39051(4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]py...)
Affinity DataIC50:  2.71E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39051(4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]py...)
Affinity DataIC50:  846nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39051(4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]py...)
Affinity DataIC50: >407nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay