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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'moon' and Initial = 'cs'   
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


(Homo sapiens (Human))
BDBM50426967
PNG
(CHEMBL2325079 | PF-4693627)
Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells microsomes assessed as reduction in PGE2 production preincubated for 15 mins f...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50569442
PNG
(CHEMBL4864480)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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Article
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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-stimulated PGE2 production


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569443
PNG
(CHEMBL4851179)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1cccc(Cl)c1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGE2 production incubated for 24 hrs by EIA


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569444
PNG
(CHEMBL4848472)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGE2 production incubated for 24 hrs by EIA


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569442
PNG
(CHEMBL4864480)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGE2 production incubated for 24 hrs by EIA


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569446
PNG
(CHEMBL4870406)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1
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n/an/a 240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGE2 production incubated for 24 hrs by EIA


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569442
PNG
(CHEMBL4864480)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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n/an/a 250n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGI2 production


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50569444
PNG
(CHEMBL4848472)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
UniProtKB/SwissProt

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PC sid
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n/an/a 340n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-stimulated PGE2 production


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569446
PNG
(CHEMBL4870406)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1
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n/an/a 490n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells microsomes assessed as reduction in PGE2 production preincubated for 15 mins f...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50426967
PNG
(CHEMBL2325079 | PF-4693627)
Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1
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n/an/a 520n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGE2 production incubated for 24 hrs by EIA


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569442
PNG
(CHEMBL4864480)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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n/an/a 610n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells microsomes assessed as reduction in PGE2 production preincubated for 15 mins f...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569445
PNG
(CHEMBL4848316)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1
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n/an/a 610n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGE2 production incubated for 24 hrs by EIA


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569446
PNG
(CHEMBL4870406)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGI2 production


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569444
PNG
(CHEMBL4848472)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGI2 production


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells microsomes assessed as reduction in PGE2 production preincubated for 15 mins f...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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n/an/a 3.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells by cell-free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50569444
PNG
(CHEMBL4848472)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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n/an/a 5.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569444
PNG
(CHEMBL4848472)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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n/an/a 7.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells by cell-free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50569442
PNG
(CHEMBL4864480)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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n/an/a 9.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50569446
PNG
(CHEMBL4870406)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569445
PNG
(CHEMBL4848316)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells microsomes assessed as reduction in PGE2 production preincubated for 15 mins f...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569443
PNG
(CHEMBL4851179)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1cccc(Cl)c1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells microsomes assessed as reduction in PGE2 production preincubated for 15 mins f...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair