BDBM32765 2-(benzotriazole-1-carbonyl)benzoic acid propargyl ester::2-[1-benzotriazolyl(oxo)methyl]benzoic acid prop-2-ynyl ester::MLS000080837::SMR000036164::cid_658532::prop-2-ynyl 2-(benzotriazol-1-ylcarbonyl)benzoate::prop-2-ynyl 2-(benzotriazole-1-carbonyl)benzoate

SMILES O=C(OCC#C)c1ccccc1C(=O)n1nnc2ccccc12

InChI Key InChIKey=CSUAPNQISCNOJK-UHFFFAOYSA-N

Data  6 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 32765   

TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32765(2-(benzotriazole-1-carbonyl)benzoic acid propargyl...)
Affinity DataIC50:  3.18E+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 PCBioAssay
TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32765(2-(benzotriazole-1-carbonyl)benzoic acid propargyl...)
Affinity DataIC50:  4.26E+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 DepthDetails PCBioAssay
TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32765(2-(benzotriazole-1-carbonyl)benzoic acid propargyl...)
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
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32765(2-(benzotriazole-1-carbonyl)benzoic acid propargyl...)
Affinity DataEC50:  8.84E+3nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32765(2-(benzotriazole-1-carbonyl)benzoic acid propargyl...)
Affinity DataIC50:  1.10E+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 DepthDetails PCBioAssay
TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32765(2-(benzotriazole-1-carbonyl)benzoic acid propargyl...)
Affinity DataIC50:  87.1nMAssay 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
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32765(2-(benzotriazole-1-carbonyl)benzoic acid propargyl...)
Affinity DataEC50:  3.51E+4nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCathepsin G(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32765(2-(benzotriazole-1-carbonyl)benzoic acid propargyl...)
Affinity DataIC50:  3.97E+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