BDBM50535205 CHEMBL4461562

SMILES ClCC(=N)NCCNC(=O)NCc1cccc(c1)-c1ccccc1

InChI Key InChIKey=NGLHWLJAOJUKDB-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50535205   

TargetProtein-arginine deiminase type-3(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50535205(CHEMBL4461562)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of recombinant human 6His-tagged PAD3 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in residual activity preincubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-4(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50535205(CHEMBL4461562)
Affinity DataIC50: 1.29E+5nMAssay Description:Inhibition of recombinant human GST-tagged PAD4 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in reduction in residual activity ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-1(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50535205(CHEMBL4461562)
Affinity DataIC50: 5.20E+4nMAssay Description:Inhibition of recombinant human 6His-tagged PAD1 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50535205(CHEMBL4461562)
Affinity DataIC50: 1.40E+5nMAssay Description:Inhibition of recombinant human 6His-tagged PAD2 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed