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Compile Data Set for Download or QSAR

Found 11 hits of ic50 data for polymerid = 50007183   
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
Prostaglandin E synthase


(Mus musculus)
BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs


Bioorg Med Chem Lett 26: 5193-5197 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.070
BindingDB Entry DOI: 10.7270/Q2W097WN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50135226
PNG
(CHEMBL3747473)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H24N2O6S/c1-33-23-16-18-26(19-17-23)36(31,32)29(28-22-10-6-3-7-11-22)27(30)35-25-14-12-24(13-15-25)34-20-21-8-4-2-5-9-21/h2-19,28H,20H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs


Bioorg Med Chem Lett 26: 5193-5197 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.070
BindingDB Entry DOI: 10.7270/Q2W097WN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50197521
PNG
(CHEMBL3922351)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc2CCCc2c1
Show InChI InChI=1S/C22H19ClN2O4S/c23-18-10-13-21(14-11-18)30(27,28)25(24-19-7-2-1-3-8-19)22(26)29-20-12-9-16-5-4-6-17(16)15-20/h1-3,7-15,24H,4-6H2
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n/an/a 550n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs


Bioorg Med Chem Lett 26: 5193-5197 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.070
BindingDB Entry DOI: 10.7270/Q2W097WN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50197518
PNG
(CHEMBL3747171)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccccc1OC
Show InChI InChI=1S/C21H20N2O6S/c1-27-17-12-14-18(15-13-17)30(25,26)23(22-16-8-4-3-5-9-16)21(24)29-20-11-7-6-10-19(20)28-2/h3-15,22H,1-2H3
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n/an/a 690n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs


Bioorg Med Chem Lett 26: 5193-5197 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.070
BindingDB Entry DOI: 10.7270/Q2W097WN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50197520
PNG
(CHEMBL3921251)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NN(C(=O)Oc1ccc2CCCc2c1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O4S/c23-18-10-13-21(14-11-18)30(27,28)24-25(19-7-2-1-3-8-19)22(26)29-20-12-9-16-5-4-6-17(16)15-20/h1-3,7-15,24H,4-6H2
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PubMed
n/an/a 790n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs


Bioorg Med Chem Lett 26: 5193-5197 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.070
BindingDB Entry DOI: 10.7270/Q2W097WN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50453466
PNG
(CHEMBL4218509)
Show SMILES COc1ccc(C\C=C\CCCCc2ccc(O)cc2)cc1OC
Show InChI InChI=1S/C21H26O3/c1-23-20-15-12-18(16-21(20)24-2)9-7-5-3-4-6-8-17-10-13-19(22)14-11-17/h5,7,10-16,22H,3-4,6,8-9H2,1-2H3/b7-5+
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES1 in mouse 3T3L1 cells assessed as reduction in PGE2 production after 1 hr by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50197516
PNG
(CHEMBL3961576)
Show SMILES COc1ccc(cc1)S(=O)(=O)NN(C(=O)Oc1ccccc1OC)c1ccccc1
Show InChI InChI=1S/C21H20N2O6S/c1-27-17-12-14-18(15-13-17)30(25,26)22-23(16-8-4-3-5-9-16)21(24)29-20-11-7-6-10-19(20)28-2/h3-15,22H,1-2H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs


Bioorg Med Chem Lett 26: 5193-5197 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.070
BindingDB Entry DOI: 10.7270/Q2W097WN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50207323
PNG
(CHEMBL3897959)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1S/C24H16ClF5N4O3/c1-34-19-17(32-23(34)33-18-15(25)3-2-4-16(18)27)10-14(20-21(19)37-6-5-36-20)22(35)31-13-8-11(24(28,29)30)7-12(26)9-13/h2-4,7-10H,5-6H2,1H3,(H,31,35)(H,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mouse mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by substrate ad...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50453468
PNG
(CHEMBL4205849)
Show SMILES COc1ccc(C\C=C\Cc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C18H20O2/c1-19-17-11-7-15(8-12-17)5-3-4-6-16-9-13-18(20-2)14-10-16/h3-4,7-14H,5-6H2,1-2H3/b4-3+
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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES1 in mouse 3T3L1 cells assessed as reduction in PGE2 production after 1 hr by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50453467
PNG
(CHEMBL4210116)
Show SMILES COc1ccc(CCCCCCCc2ccccc2O)cc1OC
Show InChI InChI=1S/C21H28O3/c1-23-20-15-14-17(16-21(20)24-2)10-6-4-3-5-7-11-18-12-8-9-13-19(18)22/h8-9,12-16,22H,3-7,10-11H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/a 1.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES1 in mouse 3T3L1 cells assessed as reduction in PGE2 production after 1 hr by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50453469
PNG
(CHEMBL4213574)
Show SMILES COc1ccc(CCCCCCCc2ccc(O)cc2)cc1OC
Show InChI InChI=1S/C21H28O3/c1-23-20-15-12-18(16-21(20)24-2)9-7-5-3-4-6-8-17-10-13-19(22)14-11-17/h10-16,22H,3-9H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/a 2.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES1 in mouse 3T3L1 cells assessed as reduction in PGE2 production after 1 hr by ELISA


Citation and Details
More data for this
Ligand-Target Pair