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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50447761   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-arginine deiminase type-3


(Homo sapiens (Human))
BDBM50447761
PNG
(CHEMBL60908)
Show SMILES NC1=CC(=O)c2cccnc2C1=O |t:1|
Show InChI InChI=1S/C9H6N2O2/c10-6-4-7(12)5-2-1-3-11-8(5)9(6)13/h1-4H,10H2
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Article
PubMed
n/an/a 170n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD3 (unknown origin) using N-alpha-Benzoyl-L-arginine amide as substrate preincubated for 15 mins followed by su...


Bioorg Med Chem 22: 1362-9 (2014)


Article DOI: 10.1016/j.bmc.2013.12.064
BindingDB Entry DOI: 10.7270/Q2QV3P05
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50447761
PNG
(CHEMBL60908)
Show SMILES NC1=CC(=O)c2cccnc2C1=O |t:1|
Show InChI InChI=1S/C9H6N2O2/c10-6-4-7(12)5-2-1-3-11-8(5)9(6)13/h1-4H,10H2
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Article
PubMed
n/an/a 740n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed...


Bioorg Med Chem 22: 1362-9 (2014)


Article DOI: 10.1016/j.bmc.2013.12.064
BindingDB Entry DOI: 10.7270/Q2QV3P05
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-1


(Homo sapiens (Human))
BDBM50447761
PNG
(CHEMBL60908)
Show SMILES NC1=CC(=O)c2cccnc2C1=O |t:1|
Show InChI InChI=1S/C9H6N2O2/c10-6-4-7(12)5-2-1-3-11-8(5)9(6)13/h1-4H,10H2
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 960n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD1 (unknown origin) using N-alpha-Benzoyl-L-arginine amide as substrate preincubated for 15 mins followed by su...


Bioorg Med Chem 22: 1362-9 (2014)


Article DOI: 10.1016/j.bmc.2013.12.064
BindingDB Entry DOI: 10.7270/Q2QV3P05
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM50447761
PNG
(CHEMBL60908)
Show SMILES NC1=CC(=O)c2cccnc2C1=O |t:1|
Show InChI InChI=1S/C9H6N2O2/c10-6-4-7(12)5-2-1-3-11-8(5)9(6)13/h1-4H,10H2
PDB
MMDB

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B.MOAD
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD4 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed...


Bioorg Med Chem 22: 1362-9 (2014)


Article DOI: 10.1016/j.bmc.2013.12.064
BindingDB Entry DOI: 10.7270/Q2QV3P05
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50447761
PNG
(CHEMBL60908)
Show SMILES NC1=CC(=O)c2cccnc2C1=O |t:1|
Show InChI InChI=1S/C9H6N2O2/c10-6-4-7(12)5-2-1-3-11-8(5)9(6)13/h1-4H,10H2
PDB
MMDB

Reactome pathway
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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CSE using L-Cys as the substrate by tandem well based HTS assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01720
BindingDB Entry DOI: 10.7270/Q2W380Z9
More data for this
Ligand-Target Pair