null

SMILES Fc1ccc(cc1)C(=O)N[C@@H](CCn1ccnn1)C(=O)NCc1ccccc1

InChI Key InChIKey=KJTOWJXFPKQKCS-SFHVURJKSA-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 2 hits for monomerid = 50246194   

TargetProtein-arginine deiminase type-1(Homo sapiens (Human))
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50246194(CHEMBL4062179 | US10716791, Example KP-316)copy SMILEScopy InChI
Affinity DataKi: >1.00E+7nMAssay Description:Inhibition of full length human GST-tagged PAD1 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8W9FPubMed
TargetProtein-arginine deiminase type-1(Homo sapiens (Human))
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50246194(CHEMBL4062179 | US10716791, Example KP-316)copy SMILEScopy InChI
Affinity DataKi:  7.77E+7nMAssay Description:Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2K35XPZUS Patent