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BDBM50435048 CHEMBL2391142

SMILES: OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=YATMRLYLMOKCTA-LPHOPBHVSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50435048   
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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50435048
PNG
(CHEMBL2391142)
Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C27H29ClF3N3O4/c28-22-14-23-24(13-21(22)17-4-6-20(7-5-17)38-27(29,30)31)37-26(33-23)34-10-8-18(9-11-34)25(36)32-19-3-1-2-16(12-19)15-35/h4-7,13-14,16,18-19,35H,1-3,8-12,15H2,(H,32,36)/t16-,19-/m0/s1
PDB
MMDB

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B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA


Bioorg Med Chem Lett 23: 1114-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.109
BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50435048
PNG
(CHEMBL2391142)
Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C27H29ClF3N3O4/c28-22-14-23-24(13-21(22)17-4-6-20(7-5-17)38-27(29,30)31)37-26(33-23)34-10-8-18(9-11-34)25(36)32-19-3-1-2-16(12-19)15-35/h4-7,13-14,16,18-19,35H,1-3,8-12,15H2,(H,32,36)/t16-,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA


Bioorg Med Chem Lett 23: 1114-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.109
BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
More data for this
Ligand-Target Pair