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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP2 subtype' and Ligand = 'BDBM180006'   
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 E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM180006
PNG
(US9676720, Comparative example 2)
Show SMILES OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-c2ccccc2)S(=O)(=O)c2cccnc2)n1
Show InChI InChI=1S/C26H24N4O4S/c31-26(32)17-28-25-10-4-8-23(29-25)19-30(35(33,34)24-9-5-15-27-16-24)18-20-11-13-22(14-12-20)21-6-2-1-3-7-21/h1-16H,17-19H2,(H,28,29)(H,31,32)
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PC cid
PC sid
UniChem
US Patent
3.80n/an/an/an/an/an/a6.0n/a



UBE INDUSTRIES, LTD.

US Patent


Assay Description
Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...


US Patent US9676720 (2017)


BindingDB Entry DOI: 10.7270/Q2057D39
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM180006
PNG
(US9676720, Comparative example 2)
Show SMILES OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-c2ccccc2)S(=O)(=O)c2cccnc2)n1
Show InChI InChI=1S/C26H24N4O4S/c31-26(32)17-28-25-10-4-8-23(29-25)19-30(35(33,34)24-9-5-15-27-16-24)18-20-11-13-22(14-12-20)21-6-2-1-3-7-21/h1-16H,17-19H2,(H,28,29)(H,31,32)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2n/an/an/an/a



UBE Industries, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP2 receptor expressed in HEK293 cells assessed as induction of cAMP accumulation after 30 mins


J Med Chem 61: 6869-6891 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00808
BindingDB Entry DOI: 10.7270/Q2125WXC
More data for this
Ligand-Target Pair