BDBM32706 4-Amino-5,7-dimethoxy-2-pentafluoroethyl-quinoline-3-carbonitrile::4-amino-5,7-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)-3-quinolinecarbonitrile::4-amino-5,7-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)quinoline-3-carbonitrile::4-azanyl-5,7-dimethoxy-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]quinoline-3-carbonitrile::MLS000555623::SMR000147340::cid_3697967

SMILES COc1cc(OC)c2c(N)c(C#N)c(nc2c1)C(F)(F)C(F)(F)F

InChI Key InChIKey=VTLRJVJJWPDFOR-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 32706   

TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32706(4-Amino-5,7-dimethoxy-2-pentafluoroethyl-quinoline...)
Affinity DataIC50: >5.00E+4nMpH: 7.4 T: 2°CAssay Description:HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32706(4-Amino-5,7-dimethoxy-2-pentafluoroethyl-quinoline...)
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 Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32706(4-Amino-5,7-dimethoxy-2-pentafluoroethyl-quinoline...)
Affinity DataIC50: >5.00E+4nMpH: 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