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SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1ncccc1C#N

InChI Key InChIKey=HENRITOGWFFGGA-PMACEKPBSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 466727   

LigandPNGBDBM466727(US10800761, Example 46 | US11731958, Example 46)copy SMILEScopy InChI
Affinity DataKi:  2nMAssay Description:In vitro inhibition of human carbonic anhydrase II (0.1 nM).More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM466727(US10800761, Example 46 | US11731958, Example 46)copy SMILEScopy InChI
Affinity DataKi: <100nMAssay Description:A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2K35XQDUS Patent
LigandPNGBDBM466727(US10800761, Example 46 | US11731958, Example 46)copy SMILEScopy InChI
Affinity DataKi: <100nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GF0ZNJ
LigandPNGBDBM466727(US10800761, Example 46 | US11731958, Example 46)copy SMILEScopy InChI
Affinity DataKi:  232nMAssay Description:Inhibitory activity against human carbonic anhydrase II using pH stat assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM466727(US10800761, Example 46 | US11731958, Example 46)copy SMILEScopy InChI
Affinity DataIC50: 373nMAssay Description:In vitro for inhibition of rat HMG-CoA reductase.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSerine/threonine-protein kinase 4(Homo sapiens (Human))TBA
LigandPNGBDBM466727(US10800761, Example 46 | US11731958, Example 46)copy SMILEScopy InChI
Affinity DataIC50: 1.48E+3nMAssay Description:Compound was evaluated for the inhibition of human Thymidylate SynthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM466727(US10800761, Example 46 | US11731958, Example 46)copy SMILEScopy InChI
Affinity DataIC50: 464nMAssay Description:Histamine H2 receptor antagonism on the right atrium of the guinea pigMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM466727(US10800761, Example 46 | US11731958, Example 46)copy SMILEScopy InChI
Affinity DataIC50: 2.56E+3nMAssay Description:Inhibitory activity against human carbonic anhydrase II using pH stat assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails