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BDBM315216 (R/S) 3-(3-{[{2-chloro-4-[5-(trifluoromethyl)pyridin-3-yl]phenyl}(cyclopentyl)acetyl]amino}-2-methylphenyl)propanoic acid::US10172814, Example 161

SMILES: Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(cc1Cl)-c1cncc(c1)C(F)(F)F

InChI Key: InChIKey=YJQZWOJTRNXAMW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 315216   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM315216
PNG
((R/S) 3-(3-{[{2-chloro-4-[5-(trifluoromethyl)pyrid...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(cc1Cl)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28ClF3N2O3/c1-17-18(10-12-26(36)37)7-4-8-25(17)35-28(38)27(19-5-2-3-6-19)23-11-9-20(14-24(23)30)21-13-22(16-34-15-21)29(31,32)33/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,35,38)(H,36,37)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/a 278n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BNW
More data for this
Ligand-Target Pair