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Patent code US9597318

Compile Data Set for Download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
Cytosolic phospholipase A2


(Homo sapiens (human))
BDBM50023444
PNG
(CHEMBL3329869 | US9597318, Code GK185)
Show SMILES CCCCCCCCc1ccc(OCC(=O)c2nccs2)cc1
Show InChI InChI=1S/C19H25NO2S/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)22-15-18(21)19-20-13-14-23-19/h9-14H,2-8,15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.00E+3n/an/an/an/an/an/a



Avexxin AS

US Patent


Assay Description
Assay for cPLA2 activity was performed by the use of sonicated vesicles of 1-palmitoyl-2-arachidonoyl-sn-glycerol-3-phosphorylcholine (100 μM) c...


US Patent US9597318 (2017)

More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (human))
BDBM301780
PNG
(5-Phenyl-1-(thiazol-2-yl)pentan-1-one | US9597318...)
Show SMILES O=C(CCCCc1ccccc1)c1nccs1
Show InChI InChI=1S/C14H15NOS/c16-13(14-15-10-11-17-14)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.05E+3n/an/an/an/an/an/a



Avexxin AS

US Patent


Assay Description
Assay for cPLA2 activity was performed by the use of sonicated vesicles of 1-palmitoyl-2-arachidonoyl-sn-glycerol-3-phosphorylcholine (100 μM) c...


US Patent US9597318 (2017)

More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (human))
BDBM301781
PNG
(4-(4-Octylphenoxy)-1-(thiazol-2-yl)butan-1-one | ...)
Show SMILES CCCCCCCCc1ccc(OCCCC(=O)c2nccs2)cc1
Show InChI InChI=1S/C21H29NO2S/c1-2-3-4-5-6-7-9-18-11-13-19(14-12-18)24-16-8-10-20(23)21-22-15-17-25-21/h11-15,17H,2-10,16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.65E+3n/an/an/an/an/an/a



Avexxin AS

US Patent


Assay Description
Assay for cPLA2 activity was performed by the use of sonicated vesicles of 1-palmitoyl-2-arachidonoyl-sn-glycerol-3-phosphorylcholine (100 μM) c...


US Patent US9597318 (2017)

More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (human))
BDBM301782
PNG
(2-Fluoro-5-(4-(hexyloxy)phenyl)-1-(thiazol-2-yl)pe...)
Show SMILES CCCCCCOc1ccc(CCCC(F)C(=O)c2nccs2)cc1
Show InChI InChI=1S/C20H26FNO2S/c1-2-3-4-5-14-24-17-11-9-16(10-12-17)7-6-8-18(21)19(23)20-22-13-15-25-20/h9-13,15,18H,2-8,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.70E+3n/an/an/an/an/an/a



Avexxin AS

US Patent


Assay Description
Assay for cPLA2 activity was performed by the use of sonicated vesicles of 1-palmitoyl-2-arachidonoyl-sn-glycerol-3-phosphorylcholine (100 μM) c...


US Patent US9597318 (2017)

More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (human))
BDBM301776
PNG
(US9597318, Code GK152)
Show SMILES CCOC(=O)c1csc(n1)C(=O)CCCCc1ccccc1
Show InChI InChI=1S/C17H19NO3S/c1-2-21-17(20)14-12-22-16(18-14)15(19)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+3n/an/an/an/an/an/a



Avexxin AS

US Patent


Assay Description
Assay for cPLA2 activity was performed by the use of sonicated vesicles of 1-palmitoyl-2-arachidonoyl-sn-glycerol-3-phosphorylcholine (100 μM) c...


US Patent US9597318 (2017)

More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (human))
BDBM301777
PNG
(US9597318, Code GK159)
Show SMILES O=C(CCCCc1ccccc1)c1nc2ccccc2s1
Show InChI InChI=1S/C18H17NOS/c20-16(12-6-4-10-14-8-2-1-3-9-14)18-19-15-11-5-7-13-17(15)21-18/h1-3,5,7-9,11,13H,4,6,10,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+3n/an/an/an/an/an/a



Avexxin AS

US Patent


Assay Description
Assay for cPLA2 activity was performed by the use of sonicated vesicles of 1-palmitoyl-2-arachidonoyl-sn-glycerol-3-phosphorylcholine (100 μM) c...


US Patent US9597318 (2017)

More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (human))
BDBM301778
PNG
(US9597318, Code GK160)
Show SMILES CCCCCCCCCCCCCCC(=O)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C19H31NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18-20-16(15-24-18)19(22)23/h15H,2-14H2,1H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.20E+3n/an/an/an/an/an/a



Avexxin AS

US Patent


Assay Description
Assay for cPLA2 activity was performed by the use of sonicated vesicles of 1-palmitoyl-2-arachidonoyl-sn-glycerol-3-phosphorylcholine (100 μM) c...


US Patent US9597318 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%