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SMILES Cc1ccc(cc1)C(Nc1ccccn1)c1ccc2cccnc2c1O

InChI Key InChIKey=MDKMHIKWIGNKOJ-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50447138   

TargetProtein disulfide-isomerase(Homo sapiens (Human))TBA
LigandPNGBDBM50447138(CHEMBL1497004)copy SMILEScopy InChI
Affinity DataIC50: 460nMAssay Description:Inhibition of recombinant human wild-type N-terminal His-tagged PDIA1 expressed in Escherichia coli strain BL21(DE3) using bovine insulin as substrat...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2833WQFPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50447138(CHEMBL1497004)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAP...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GH9KDZPubMed