BDBM32729 1-benzoyl-6,6-dimethyl-3-propyl-1,5,6,7-tetrahydro-4H-indazol-4-one::1-benzoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one::6,6-dimethyl-1-(phenylcarbonyl)-3-propyl-5,7-dihydroindazol-4-one::MLS000532261::SMR000137200::cid_788456

SMILES CCCc1nn(C(=O)c2ccccc2)c2CC(C)(C)CC(=O)c12

InChI Key InChIKey=RMYXFRCJEAPNDU-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 32729   

TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32729(1-benzoyl-6,6-dimethyl-3-propyl-1,5,6,7-tetrahydro...)
Affinity DataIC50:  3.37E+3nMpH: 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
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32729(1-benzoyl-6,6-dimethyl-3-propyl-1,5,6,7-tetrahydro...)
Affinity DataIC50:  3.37E+3nMAssay 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
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32729(1-benzoyl-6,6-dimethyl-3-propyl-1,5,6,7-tetrahydro...)
Affinity DataIC50:  3.37E+3nMpH: 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