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SMILES: CC(C)(C)OC(=O)N[C@H](CCN=[N+]=[N-])C(=O)NCc1ccccc1

InChI Key: InChIKey=WZNXMJSULFCZNI-CYBMUJFWSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 454173   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-arginine deiminase type-2


(Mus musculus)
BDBM454173
PNG
(US10716791, Code KP-310)
Show SMILES CC(C)(C)OC(=O)N[C@H](CCN=[N+]=[N-])C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C16H23N5O3/c1-16(2,3)24-15(23)20-13(9-10-19-21-17)14(22)18-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,23)/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.43E+6n/an/an/an/an/an/an/an/a



University Health Network

US Patent


Assay Description
Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...


US Patent US10716791 (2020)

More data for this
Ligand-Target Pair
Protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM454173
PNG
(US10716791, Code KP-310)
Show SMILES CC(C)(C)OC(=O)N[C@H](CCN=[N+]=[N-])C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C16H23N5O3/c1-16(2,3)24-15(23)20-13(9-10-19-21-17)14(22)18-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,23)/t13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.45E+6n/an/an/an/an/an/an/an/a



University Health Network

US Patent


Assay Description
Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...


US Patent US10716791 (2020)

More data for this
Ligand-Target Pair
Protein-arginine deiminase type-1


(Homo sapiens (Human))
BDBM454173
PNG
(US10716791, Code KP-310)
Show SMILES CC(C)(C)OC(=O)N[C@H](CCN=[N+]=[N-])C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C16H23N5O3/c1-16(2,3)24-15(23)20-13(9-10-19-21-17)14(22)18-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,23)/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.43E+6n/an/an/an/an/an/an/an/a



University Health Network

US Patent


Assay Description
Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...


US Patent US10716791 (2020)

More data for this
Ligand-Target Pair