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BDBM50302411 2-(2-(2-chloro-6-fluorophenyl)-6-(2-hydroxypropan-2-yl)-1H-phenanthro[9,10-d]imidazol-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol::CHEMBL568366

SMILES: CC(C)(O)c1ccc2c3nc([nH]c3c3ccc(cc3c2c1)C(O)(C(F)(F)F)C(F)(F)F)-c1c(F)cccc1Cl

InChI Key: InChIKey=IOSXTTOQIDBRDM-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302411   
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))
BDBM50302411
PNG
(2-(2-(2-chloro-6-fluorophenyl)-6-(2-hydroxypropan-...)
Show SMILES CC(C)(O)c1ccc2c3nc([nH]c3c3ccc(cc3c2c1)C(O)(C(F)(F)F)C(F)(F)F)-c1c(F)cccc1Cl
Show InChI InChI=1S/C27H18ClF7N2O2/c1-24(2,38)12-6-8-14-16(10-12)17-11-13(25(39,26(30,31)32)27(33,34)35)7-9-15(17)22-21(14)36-23(37-22)20-18(28)4-3-5-19(20)29/h3-11,38-39H,1-2H3,(H,36,37)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/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))
BDBM50302411
PNG
(2-(2-(2-chloro-6-fluorophenyl)-6-(2-hydroxypropan-...)
Show SMILES CC(C)(O)c1ccc2c3nc([nH]c3c3ccc(cc3c2c1)C(O)(C(F)(F)F)C(F)(F)F)-c1c(F)cccc1Cl
Show InChI InChI=1S/C27H18ClF7N2O2/c1-24(2,38)12-6-8-14-16(10-12)17-11-13(25(39,26(30,31)32)27(33,34)35)7-9-15(17)22-21(14)36-23(37-22)20-18(28)4-3-5-19(20)29/h3-11,38-39H,1-2H3,(H,36,37)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/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