BDBM32784 2-thiophenecarboxylic acid [5-amino-1-(benzenesulfonyl)-3-pyrazolyl] ester::5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl thiophene-2-carboxylate::CHEMBL389130::MLS000044152::SMR000021562::[5-amino-1-(benzenesulfonyl)pyrazol-3-yl] thiophene-2-carboxylate::[5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] thiophene-2-carboxylate::cid_3243128::thiophene-2-carboxylic acid (5-amino-1-besyl-pyrazol-3-yl) ester

SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1

InChI Key InChIKey=RZXMQAUOJUDTRO-UHFFFAOYSA-N

Data  18 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 18 hits for monomerid = 32784   

TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human liver cathepsin B pre-incubated for 24 hrs in assay buffer with DTTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 4.54E+4nMAssay Description:Inhibition of human liver cathepsin B pre-incubated for 17 hrs in assay buffer with DTTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of human liver cathepsin B pre-incubated for 2 hrs in assay buffer with DTTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of human liver cathepsin B pre-incubated for 17 hrs in non-buffer solution without DTTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of human liver cathepsin B pre-incubated for 24 hrs in buffer without DTTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 700nMAssay Description:Inhibition of human liver cathepsin B pre-incubated for 17 hrs in buffer without DTTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human liver cathepsin B pre-incubated for 24 hrs in non-buffer solution without DTTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human liver cathepsin B pre-incubated for 2 hrs in non-buffer solution without DTTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human liver cathepsin B pre-incubated for 2 hrs in buffer without DTTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 247nMpH: 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
TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 250nMAssay Description:Inhibition of human liver cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 693nMAssay 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
TargetProcathepsin L(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
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
TargetCathepsin G(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 3.26E+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
TargetGenome polyprotein(WNV)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 2.38E+3nMAssay Description:The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 247nMAssay 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
TargetCathepsin B(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 657nMAssay Description:Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32784(SMR000021562 | MLS000044152 | CHEMBL389130 | 5-ami...)
Affinity DataIC50: 1.78E+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