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BDBM50423023 CHEMBL427844

SMILES: CC(=O)Nc1cc(cc(c1)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F)C(O)=O

InChI Key: InChIKey=YWMJHCFRFHOSCO-UHFFFAOYSA-N

Data: 3 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 = 50423023   
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 EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50423023
PNG
(CHEMBL427844)
Show SMILES CC(=O)Nc1cc(cc(c1)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F)C(O)=O
Show InChI InChI=1S/C27H21BrF2N2O4/c1-15-3-7-25(32(15)22-10-18(27(34)35)9-21(13-22)31-16(2)33)23-11-19(28)5-8-26(23)36-14-17-4-6-20(29)12-24(17)30/h3-13H,14H2,1-2H3,(H,31,33)(H,34,35)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 732-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.078
BindingDB Entry DOI: 10.7270/Q2MC91B9
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50423023
PNG
(CHEMBL427844)
Show SMILES CC(=O)Nc1cc(cc(c1)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F)C(O)=O
Show InChI InChI=1S/C27H21BrF2N2O4/c1-15-3-7-25(32(15)22-10-18(27(34)35)9-21(13-22)31-16(2)33)23-11-19(28)5-8-26(23)36-14-17-4-6-20(29)12-24(17)30/h3-13H,14H2,1-2H3,(H,31,33)(H,34,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TP receptor


Bioorg Med Chem Lett 17: 732-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.078
BindingDB Entry DOI: 10.7270/Q2MC91B9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50423023
PNG
(CHEMBL427844)
Show SMILES CC(=O)Nc1cc(cc(c1)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F)C(O)=O
Show InChI InChI=1S/C27H21BrF2N2O4/c1-15-3-7-25(32(15)22-10-18(27(34)35)9-21(13-22)31-16(2)33)23-11-19(28)5-8-26(23)36-14-17-4-6-20(29)12-24(17)30/h3-13H,14H2,1-2H3,(H,31,33)(H,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EP4 receptor


Bioorg Med Chem Lett 17: 732-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.078
BindingDB Entry DOI: 10.7270/Q2MC91B9
More data for this
Ligand-Target Pair