BindingDB logo
myBDB logout

BDBM50520100 CHEMBL4576681

SMILES: C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)NC1(CC1)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=ZOWOIFCPAIVCHT-NSCUHMNNSA-N

Data: 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 2 hits for monomerid = 50520100   
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
Prostanoid EP4 receptor


(Mus musculus (Mouse))
BDBM50520100
PNG
(CHEMBL4576681)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)NC1(CC1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H21F3N4O3/c1-2-3-19-20(31(30-29-19)14-15-4-8-18(9-5-15)24(25,26)27)21(32)28-23(12-13-23)17-10-6-16(7-11-17)22(33)34/h2-11H,12-14H2,1H3,(H,28,32)(H,33,34)/b3-2+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...


J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50520100
PNG
(CHEMBL4576681)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)NC1(CC1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H21F3N4O3/c1-2-3-19-20(31(30-29-19)14-15-4-8-18(9-5-15)24(25,26)27)21(32)28-23(12-13-23)17-10-6-16(7-11-17)22(33)34/h2-11H,12-14H2,1H3,(H,28,32)(H,33,34)/b3-2+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...


J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
More data for this
Ligand-Target Pair