BDBM50355657 CHEMBL1910972::CHEMBL1962361

SMILES NC(=O)[C@H](CCCN=C(N)CCl)NC(=O)c1ccccc1

InChI Key InChIKey=BPWATVWOHQZVRP-UHFFFAOYSA-N

Data  3 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 50355657   

TargetProtein-arginine deiminase type-1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50355657(CHEMBL1962361 | CHEMBL1910972)
Affinity DataIC50: 800nMAssay Description:Irreversible inhibition of PAD1 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-4(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50355657(CHEMBL1962361 | CHEMBL1910972)
Affinity DataIC50: 5.90E+3nMAssay Description:Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-4(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50355657(CHEMBL1962361 | CHEMBL1910972)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of PAD4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-3(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50355657(CHEMBL1962361 | CHEMBL1910972)
Affinity DataIC50: 6.00E+3nMAssay Description:Irreversible inhibition of PAD3 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-2(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50355657(CHEMBL1962361 | CHEMBL1910972)
Affinity DataIC50: 1.70E+4nMAssay Description:Irreversible inhibition of PAD2 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-3(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50355657(CHEMBL1962361 | CHEMBL1910972)
Affinity DataKi:  2.80E+4nMAssay Description:Irreversible inhibition of PAD3 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50355657(CHEMBL1962361 | CHEMBL1910972)
Affinity DataKi:  6.20E+4nMAssay Description:Irreversible inhibition of PAD1 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-4(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50355657(CHEMBL1962361 | CHEMBL1910972)
Affinity DataKi:  1.80E+5nMAssay Description:Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed