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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50447760   
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-1


(Homo sapiens (Human))
BDBM50447760
PNG
(CHEMBL58150)
Show SMILES NC1=CC(=O)c2ccc(nc2C1=O)-c1cccc(n1)C(O)=O |t:1|
Show InChI InChI=1S/C15H9N3O4/c16-8-6-12(19)7-4-5-10(18-13(7)14(8)20)9-2-1-3-11(17-9)15(21)22/h1-6H,16H2,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/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-2


(Homo sapiens (Human))
BDBM50447760
PNG
(CHEMBL58150)
Show SMILES NC1=CC(=O)c2ccc(nc2C1=O)-c1cccc(n1)C(O)=O |t:1|
Show InChI InChI=1S/C15H9N3O4/c16-8-6-12(19)7-4-5-10(18-13(7)14(8)20)9-2-1-3-11(17-9)15(21)22/h1-6H,16H2,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50447760
PNG
(CHEMBL58150)
Show SMILES NC1=CC(=O)c2ccc(nc2C1=O)-c1cccc(n1)C(O)=O |t:1|
Show InChI InChI=1S/C15H9N3O4/c16-8-6-12(19)7-4-5-10(18-13(7)14(8)20)9-2-1-3-11(17-9)15(21)22/h1-6H,16H2,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE4 (unknown origin) by Fluopol-ABPP HTS assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113840
BindingDB Entry DOI: 10.7270/Q2QV3RDC
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM50447760
PNG
(CHEMBL58150)
Show SMILES NC1=CC(=O)c2ccc(nc2C1=O)-c1cccc(n1)C(O)=O |t:1|
Show InChI InChI=1S/C15H9N3O4/c16-8-6-12(19)7-4-5-10(18-13(7)14(8)20)9-2-1-3-11(17-9)15(21)22/h1-6H,16H2,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/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
Protein-arginine deiminase type-3


(Homo sapiens (Human))
BDBM50447760
PNG
(CHEMBL58150)
Show SMILES NC1=CC(=O)c2ccc(nc2C1=O)-c1cccc(n1)C(O)=O |t:1|
Show InChI InChI=1S/C15H9N3O4/c16-8-6-12(19)7-4-5-10(18-13(7)14(8)20)9-2-1-3-11(17-9)15(21)22/h1-6H,16H2,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 710n/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