BDBM32794 1-benzoyl-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one::1-benzoyl-3,6,6-trimethyl-5,7-dihydroindazol-4-one::3,6,6-trimethyl-1-(phenylcarbonyl)-5,7-dihydroindazol-4-one::MLS000060946::SMR000069174::cid_749826

SMILES Cc1nn(C(=O)c2ccccc2)c2CC(C)(C)CC(=O)c12

InChI Key InChIKey=CEUZPNLOWRYWGA-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 32794   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32794(SMR000069174 | 3,6,6-trimethyl-1-(phenylcarbonyl)-...)
Affinity DataIC50: 1.59E+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 Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay
LigandPNGBDBM32794(SMR000069174 | 3,6,6-trimethyl-1-(phenylcarbonyl)-...)
Affinity DataIC50: 5.35E+3nMAssay 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 Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
LigandPNGBDBM32794(SMR000069174 | 3,6,6-trimethyl-1-(phenylcarbonyl)-...)
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 Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32794(SMR000069174 | 3,6,6-trimethyl-1-(phenylcarbonyl)-...)
Affinity DataIC50: 2.99E+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 Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetCathepsin G(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32794(SMR000069174 | 3,6,6-trimethyl-1-(phenylcarbonyl)-...)
Affinity DataIC50: 1.08E+4nMAssay 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 Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32794(SMR000069174 | 3,6,6-trimethyl-1-(phenylcarbonyl)-...)
Affinity DataIC50: 2.99E+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 Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay