BDBM40382 1-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)-1H-pyrazole::1-pyrazolyl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone::MLS000065702::SMR000080360::cid_1245419::pyrazol-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone::pyrazol-1-yl(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone

SMILES O=C(c1csc2CCCCc12)n1cccn1

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 40382   

LigandPNGBDBM40382(SMR000080360 | MLS000065702 | cid_1245419 | pyrazo...)
Affinity DataIC50: 3.83E+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
LigandPNGBDBM40382(SMR000080360 | MLS000065702 | cid_1245419 | pyrazo...)
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
LigandPNGBDBM40382(SMR000080360 | MLS000065702 | cid_1245419 | pyrazo...)
Affinity DataIC50: 5.39E+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
LigandPNGBDBM40382(SMR000080360 | MLS000065702 | cid_1245419 | pyrazo...)
Affinity DataIC50: 3.61E+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 Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay