BDBM315143 (3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)phenyl]-2-cyclopentylacetyl}amino)-2-methylphenyl]butanoic acid::US10172814, Example 85::US10172814, Example 86::US10172814, Example 87::US10172814, Example 88::US10172814, Example 89

SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C

InChI Key InChIKey=ZMPUWAPOGIXWRT-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 315143   

TargetProstaglandin G/H synthase 2(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM315143(US10172814, Example 88 | (3R/S)-3-[3-({(2R/S)-2-[4...)
Affinity DataIC50: 8nMAssay Description:Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetProstaglandin G/H synthase 2(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM315143(US10172814, Example 88 | (3R/S)-3-[3-({(2R/S)-2-[4...)
Affinity DataIC50: 29.2nMAssay Description:Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetProstaglandin G/H synthase 2(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM315143(US10172814, Example 88 | (3R/S)-3-[3-({(2R/S)-2-[4...)
Affinity DataIC50: 208nMAssay Description:Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetProstaglandin G/H synthase 2(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM315143(US10172814, Example 88 | (3R/S)-3-[3-({(2R/S)-2-[4...)
Affinity DataIC50: 9.67nMAssay Description:Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetProstaglandin G/H synthase 2(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM315143(US10172814, Example 88 | (3R/S)-3-[3-({(2R/S)-2-[4...)
Affinity DataIC50: 961nMAssay Description:Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetProstaglandin G/H synthase 2(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM315143(US10172814, Example 88 | (3R/S)-3-[3-({(2R/S)-2-[4...)
Affinity DataIC50: 22.2nMAssay Description:Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetProstaglandin E synthase(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM315143(US10172814, Example 88 | (3R/S)-3-[3-({(2R/S)-2-[4...)
Affinity DataIC50: 29nMAssay Description:Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed