BDBM32791 1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole::1-benzothiophen-3-yl(1-pyrazolyl)methanone::1-benzothiophen-3-yl(pyrazol-1-yl)methanone::MLS000065687::SMR000080341::benzothiophen-3-yl(pyrazol-1-yl)methanone::cid_841465

SMILES O=C(c1csc2ccccc12)n1cccn1

InChI Key InChIKey=PMDFFILEMKLIDC-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 32791   

TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32791(1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole | 1-benz...)
Affinity DataIC50:  2.21E+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
TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32791(1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole | 1-benz...)
Affinity DataIC50:  1.49E+4nMAssay 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
TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32791(1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole | 1-benz...)
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
TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32791(1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole | 1-benz...)
Affinity DataIC50:  1.09E+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
TargetCathepsin G(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32791(1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole | 1-benz...)
Affinity DataIC50:  4.33E+3nMAssay 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
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32791(1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole | 1-benz...)
Affinity DataIC50:  4.03E+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 XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32791(1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole | 1-benz...)
Affinity DataIC50:  4.03E+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