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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 = 'BDBM50512716'   
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))		BDBM50512716
PNG
(CHEMBL4439662)
Show SMILES C[C@@H](CC(O)=O)c1cccc(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C |r|
Show InChI InChI=1S/C29H31ClN2O3/c1-18(14-27(33)34)25-8-5-9-26(19(25)2)32-29(35)28(21-6-3-4-7-21)22-12-10-20(11-13-22)23-15-24(30)17-31-16-23/h5,8-13,15-18,21,28H,3-4,6-7,14H2,1-2H3,(H,32,35)(H,33,34)/t18-,28+/m0/s1
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/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)		BDBM50512716
PNG
(CHEMBL4439662)
Show SMILES C[C@@H](CC(O)=O)c1cccc(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C |r|
Show InChI InChI=1S/C29H31ClN2O3/c1-18(14-27(33)34)25-8-5-9-26(19(25)2)32-29(35)28(21-6-3-4-7-21)22-12-10-20(11-13-22)23-15-24(30)17-31-16-23/h5,8-13,15-18,21,28H,3-4,6-7,14H2,1-2H3,(H,32,35)(H,33,34)/t18-,28+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 584n/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