BDBM32787 1-[2-(ethylthio)benzoyl]-1H-1,2,3-benzotriazole::1-benzotriazolyl-[2-(ethylthio)phenyl]methanone::MLS000050138::SMR000077231::benzotriazol-1-yl-(2-ethylsulfanylphenyl)methanone::benzotriazol-1-yl-[2-(ethylthio)phenyl]methanone::cid_2212050

SMILES CCSc1ccccc1C(=O)n1nnc2ccccc12

InChI Key InChIKey=PAADVYQHTJOJPN-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 32787   

TargetCathepsin B(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32787(cid_2212050 | SMR000077231 | 1-[2-(ethylthio)benzo...)
Affinity DataIC50: 7.11E+3nMpH: 6.8 T: 2°CAssay 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:
12/17/2009
Entry Details
PCBioAssay
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32787(cid_2212050 | SMR000077231 | 1-[2-(ethylthio)benzo...)
Affinity DataIC50: 1.50E+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
LigandPNGBDBM32787(cid_2212050 | SMR000077231 | 1-[2-(ethylthio)benzo...)
Affinity DataIC50: 3.10E+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 Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
TargetCathepsin B(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32787(cid_2212050 | SMR000077231 | 1-[2-(ethylthio)benzo...)
Affinity DataIC50: 7.11E+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:
5/11/2011
Entry Details
PCBioAssay
LigandPNGBDBM32787(cid_2212050 | SMR000077231 | 1-[2-(ethylthio)benzo...)
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
TargetCathepsin G(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32787(cid_2212050 | SMR000077231 | 1-[2-(ethylthio)benzo...)
Affinity DataIC50: 9.80E+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
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32787(cid_2212050 | SMR000077231 | 1-[2-(ethylthio)benzo...)
Affinity DataIC50: 1.03E+4nMAssay 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
TargetProcathepsin L(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32787(cid_2212050 | SMR000077231 | 1-[2-(ethylthio)benzo...)
Affinity DataIC50: 5.00E+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:
5/28/2011
Entry Details
PCBioAssay
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32787(cid_2212050 | SMR000077231 | 1-[2-(ethylthio)benzo...)
Affinity DataIC50: 254nMAssay 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:
6/8/2011
Entry Details
PCBioAssay