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BDBM50163383 CHEMBL3793956

SMILES: Cc1cc(cc(C)c1NC(=O)c1nc(ccc1C)N1CCCC(CO)C1)C(O)=O

InChI Key: InChIKey=FRRVNUMGKQGXOM-UHFFFAOYSA-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 = 50163383   
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))
BDBM50163383
PNG
(CHEMBL3793956)
Show SMILES Cc1cc(cc(C)c1NC(=O)c1nc(ccc1C)N1CCCC(CO)C1)C(O)=O
Show InChI InChI=1S/C22H27N3O4/c1-13-6-7-18(25-8-4-5-16(11-25)12-26)23-20(13)21(27)24-19-14(2)9-17(22(28)29)10-15(19)3/h6-7,9-10,16,26H,4-5,8,11-12H2,1-3H3,(H,24,27)(H,28,29)
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against EP4 in human whole blood assessed as reversal of PGE2-mediated suppression of LPS-induced TNF-alpha production preincubat...


Bioorg Med Chem Lett 26: 2303-7 (2016)


BindingDB Entry DOI: 10.7270/Q22F7QBJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50163383
PNG
(CHEMBL3793956)
Show SMILES Cc1cc(cc(C)c1NC(=O)c1nc(ccc1C)N1CCCC(CO)C1)C(O)=O
Show InChI InChI=1S/C22H27N3O4/c1-13-6-7-18(25-8-4-5-16(11-25)12-26)23-20(13)21(27)24-19-14(2)9-17(22(28)29)10-15(19)3/h6-7,9-10,16,26H,4-5,8,11-12H2,1-3H3,(H,24,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 17n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human EP4 expressed in HEK293 cells assessed as inhibition of PGE2-stimulated production of cAMP incubated for 20 mins by...


Bioorg Med Chem Lett 26: 2303-7 (2016)


BindingDB Entry DOI: 10.7270/Q22F7QBJ
More data for this
Ligand-Target Pair