BDBM32801 1,3-benzodioxol-5-yl(1-benzotriazolyl)methanone::1,3-benzodioxol-5-yl(benzotriazol-1-yl)methanone::MLS000108681::SMR000104634::cid_737680

SMILES O=C(c1ccc2OCOc2c1)n1nnc2ccccc12

InChI Key InChIKey=GKBXJOCPZBRUIG-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 32801   

TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32801(1,3-benzodioxol-5-yl(1-benzotriazolyl)methanone | ...)
Affinity DataIC50:  320nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32801(1,3-benzodioxol-5-yl(1-benzotriazolyl)methanone | ...)
Affinity DataIC50:  850nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32801(1,3-benzodioxol-5-yl(1-benzotriazolyl)methanone | ...)
Affinity DataIC50:  366nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCathepsin G(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32801(1,3-benzodioxol-5-yl(1-benzotriazolyl)methanone | ...)
Affinity DataIC50:  957nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32801(1,3-benzodioxol-5-yl(1-benzotriazolyl)methanone | ...)
Affinity DataIC50: >5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsyl...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay