null

SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N

InChI Key InChIKey=VKPLBOPLYIVTRL-UHFFFAOYSA-N

  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 11 hits for monomerid = 32761   

LigandPNGBDBM32761(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)copy SMILEScopy InChI
Affinity DataKi: <1.00E+3nMAssay Description:The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VH5SRTUS Patent
TargetProthrombin(Homo sapiens (Human))TBA
LigandPNGBDBM32761(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)copy SMILEScopy InChI
Affinity DataKi: <1.00E+3nMAssay Description:The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VH5SRTUS Patent
TargetComplement C1s subcomponent(Homo sapiens (Human))
PCMD

Curated by PubChem BioAssay
LigandPNGBDBM32761(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.13E+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
BindingDB Entry DOI: 10.7270/Q2MP51PCPCBioAssay
TargetCathepsin B(Homo sapiens (Human))
PCMD

Curated by PubChem BioAssay
LigandPNGBDBM32761(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)copy SMILEScopy InChI
Affinity DataIC50: 924nMAssay 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
BindingDB Entry DOI: 10.7270/Q2C53J7NPCBioAssay
TargetComplement C1s subcomponent(Homo sapiens (Human))
PCMD

Curated by PubChem BioAssay
LigandPNGBDBM32761(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q20000GWPCBioAssay
TargetCoagulation factor XII(Homo sapiens (Human))
PCMD

Curated by PubChem BioAssay
LigandPNGBDBM32761(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)copy SMILEScopy InChI
Affinity DataIC50: 7.75E+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
BindingDB Entry DOI: 10.7270/Q21G0JQSPCBioAssay
TargetProcathepsin L(Homo sapiens (Human))
PCMD

Curated by PubChem BioAssay
LigandPNGBDBM32761(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)copy SMILEScopy InChI
Affinity DataIC50: 4.60E+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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2WH2NDVPCBioAssay
TargetKallikrein-5(Homo sapiens (Human))
PCMD

Curated by PubChem BioAssay
LigandPNGBDBM32761(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)copy SMILEScopy InChI
Affinity DataIC50: 511nMAssay 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
BindingDB Entry DOI: 10.7270/Q2GH9GC8PCBioAssay
TargetCoagulation factor XI(Homo sapiens (Human))
PCMD

Curated by PubChem BioAssay
LigandPNGBDBM32761(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)copy SMILEScopy InChI
Affinity DataIC50: 2.18E+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
BindingDB Entry DOI: 10.7270/Q2H993J6PCBioAssay
TargetCathepsin B(Homo sapiens (Human))
PCMD

Curated by PubChem BioAssay
LigandPNGBDBM32761(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)copy SMILEScopy InChI
Affinity DataIC50: 924nMpH: 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 DepthDetails
BindingDB Entry DOI: 10.7270/Q25T3HTJPCBioAssay
TargetGenome polyprotein(West Nile virus)
University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32761(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)copy SMILEScopy InChI
Affinity DataIC50: 553nMAssay 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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2222S6WPCBioAssay