BDBM50535207 CHEMBL4449566

SMILES ClCC(=N)NCCCc1nc(Cl)c([nH]1)-c1cccc(c1)-c1ccccc1

InChI Key InChIKey=CCJHJEGQQRESRQ-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50535207   

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

Curated by ChEMBL
LigandPNGBDBM50535207(CHEMBL4449566)
Affinity DataIC50: 7.30E+3nMAssay 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
LigandPNGBDBM50535207(CHEMBL4449566)
Affinity DataIC50: 8.80E+3nMAssay 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-2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50535207(CHEMBL4449566)
Affinity DataIC50: 1.30E+4nMAssay 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
TargetProtein-arginine deiminase type-1(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50535207(CHEMBL4449566)
Affinity DataIC50: 1.61E+5nMAssay 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