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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM314837'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM314837
PNG
((R/S) 3-[3- ({Cyclopentyl[4-(5- methylpyridin-3-yl...)
Show SMILES Cc1cncc(c1)-c1ccc(cc1)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
Show InChI InChI=1S/C29H32N2O3/c1-19-16-25(18-30-17-19)22-10-12-24(13-11-22)28(23-6-3-4-7-23)29(34)31-26-9-5-8-21(20(26)2)14-15-27(32)33/h5,8-13,16-18,23,28H,3-4,6-7,14-15H2,1-2H3,(H,31,34)(H,32,33)
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 161n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...

Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)		BDBM314837
PNG
((R/S) 3-[3- ({Cyclopentyl[4-(5- methylpyridin-3-yl...)
Show SMILES Cc1cncc(c1)-c1ccc(cc1)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
Show InChI InChI=1S/C29H32N2O3/c1-19-16-25(18-30-17-19)22-10-12-24(13-11-22)28(23-6-3-4-7-23)29(34)31-26-9-5-8-21(20(26)2)14-15-27(32)33/h5,8-13,16-18,23,28H,3-4,6-7,14-15H2,1-2H3,(H,31,34)(H,32,33)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 818n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate incubated f...

Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair