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BDBM50499949 CHEMBL3742015

SMILES: Cc1cc(cc(C)c1NC(=O)c1cc(cc2ccccc12)-c1ccccc1)C(O)=O

InChI Key: InChIKey=VGTNMRTXSYPQNW-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50499949   
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


(Homo sapiens (Human))
BDBM50499949
PNG
(CHEMBL3742015)
Show SMILES Cc1cc(cc(C)c1NC(=O)c1cc(cc2ccccc12)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H21NO3/c1-16-12-21(26(29)30)13-17(2)24(16)27-25(28)23-15-20(18-8-4-3-5-9-18)14-19-10-6-7-11-22(19)23/h3-15H,1-2H3,(H,27,28)(H,29,30)
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PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor


Bioorg Med Chem Lett 26: 105-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.023
BindingDB Entry DOI: 10.7270/Q2G73HRK
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50499949
PNG
(CHEMBL3742015)
Show SMILES Cc1cc(cc(C)c1NC(=O)c1cc(cc2ccccc12)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H21NO3/c1-16-12-21(26(29)30)13-17(2)24(16)27-25(28)23-15-20(18-8-4-3-5-9-18)14-19-10-6-7-11-22(19)23/h3-15H,1-2H3,(H,27,28)(H,29,30)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 623n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in human whole blood assessed as reversal of inhibition of PGE2 mediated LPS-induced TNF alpha production pretrea...


Bioorg Med Chem Lett 26: 105-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.023
BindingDB Entry DOI: 10.7270/Q2G73HRK
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50499949
PNG
(CHEMBL3742015)
Show SMILES Cc1cc(cc(C)c1NC(=O)c1cc(cc2ccccc12)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H21NO3/c1-16-12-21(26(29)30)13-17(2)24(16)27-25(28)23-15-20(18-8-4-3-5-9-18)14-19-10-6-7-11-22(19)23/h3-15H,1-2H3,(H,27,28)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation


Bioorg Med Chem Lett 26: 105-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.023
BindingDB Entry DOI: 10.7270/Q2G73HRK
More data for this
Ligand-Target Pair