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BDBM50302407 2-(6-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazol-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol::CHEMBL585763

SMILES: OC(c1ccc2c3[nH]c(nc3c3ccc(Br)cc3c2c1)-c1c(F)cccc1Cl)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=IKPRIIGXZJXYGU-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302407   
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))
BDBM50302407
PNG
(2-(6-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanth...)
Show SMILES OC(c1ccc2c3[nH]c(nc3c3ccc(Br)cc3c2c1)-c1c(F)cccc1Cl)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H11BrClF7N2O/c25-11-5-7-13-15(9-11)14-8-10(22(36,23(28,29)30)24(31,32)33)4-6-12(14)19-20(13)35-21(34-19)18-16(26)2-1-3-17(18)27/h1-9,36H,(H,34,35)
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells


Bioorg Med Chem Lett 19: 5837-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.085
BindingDB Entry DOI: 10.7270/Q2MG7PKK
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50302407
PNG
(2-(6-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanth...)
Show SMILES OC(c1ccc2c3[nH]c(nc3c3ccc(Br)cc3c2c1)-c1c(F)cccc1Cl)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H11BrClF7N2O/c25-11-5-7-13-15(9-11)14-8-10(22(36,23(28,29)30)24(31,32)33)4-6-12(14)19-20(13)35-21(34-19)18-16(26)2-1-3-17(18)27/h1-9,36H,(H,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum


Bioorg Med Chem Lett 19: 5837-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.085
BindingDB Entry DOI: 10.7270/Q2MG7PKK
More data for this
Ligand-Target Pair