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BDBM154981 US9000043, 1

SMILES: CC(C)[C@@H](OCCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=PTEYRFYBLQUWJP-OXJNMPFZSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 154981   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM154981
PNG
(US9000043, 1)
Show SMILES CC(C)[C@@H](OCCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H27NO5/c1-15(2)20(28-14-13-27-19-7-5-4-6-8-19)21(24)23-16(3)17-9-11-18(12-10-17)22(25)26/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t16-,20+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.450n/an/an/an/an/an/a7.4n/a



Eli Lilly and Company

US Patent


Assay Description
hEP1 and hEP4 membranes are prepared from recombinant HEK293 cells stably expressing the human EP1 (Genbank accession number AY275470) or EP4 (Genban...


US Patent US9000043 (2015)


BindingDB Entry DOI: 10.7270/Q26T0KCQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM154981
PNG
(US9000043, 1)
Show SMILES CC(C)[C@@H](OCCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H27NO5/c1-15(2)20(28-14-13-27-19-7-5-4-6-8-19)21(24)23-16(3)17-9-11-18(12-10-17)22(25)26/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t16-,20+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
261n/an/an/an/an/an/a7.4n/a



Eli Lilly and Company

US Patent


Assay Description
hEP1 and hEP4 membranes are prepared from recombinant HEK293 cells stably expressing the human EP1 (Genbank accession number AY275470) or EP4 (Genban...


US Patent US9000043 (2015)


BindingDB Entry DOI: 10.7270/Q26T0KCQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM154981
PNG
(US9000043, 1)
Show SMILES CC(C)[C@@H](OCCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H27NO5/c1-15(2)20(28-14-13-27-19-7-5-4-6-8-19)21(24)23-16(3)17-9-11-18(12-10-17)22(25)26/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t16-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.27E+4n/an/an/an/an/an/a7.4n/a



Eli Lilly and Company

US Patent


Assay Description
hEP1 and hEP4 membranes are prepared from recombinant HEK293 cells stably expressing the human EP1 (Genbank accession number AY275470) or EP4 (Genban...


US Patent US9000043 (2015)


BindingDB Entry DOI: 10.7270/Q26T0KCQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM154981
PNG
(US9000043, 1)
Show SMILES CC(C)[C@@H](OCCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H27NO5/c1-15(2)20(28-14-13-27-19-7-5-4-6-8-19)21(24)23-16(3)17-9-11-18(12-10-17)22(25)26/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t16-,20+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.74E+4n/an/an/an/an/an/a7.4n/a



Eli Lilly and Company

US Patent


Assay Description
hEP1 and hEP4 membranes are prepared from recombinant HEK293 cells stably expressing the human EP1 (Genbank accession number AY275470) or EP4 (Genban...


US Patent US9000043 (2015)


BindingDB Entry DOI: 10.7270/Q26T0KCQ
More data for this
Ligand-Target Pair