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BDBM50034985 CHEMBL3343111

SMILES: CCN(Cc1cc(F)ccc1-c1cn(CC(O)=O)c2ccccc12)C(=O)C1CC1

InChI Key: InChIKey=XHSAFCKXDOCODN-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 = 50034985   
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 D2 receptor 2


(Homo sapiens (Human))
BDBM50034985
PNG
(CHEMBL3343111)
Show SMILES CCN(Cc1cc(F)ccc1-c1cn(CC(O)=O)c2ccccc12)C(=O)C1CC1
Show InChI InChI=1S/C23H23FN2O3/c1-2-25(23(29)15-7-8-15)12-16-11-17(24)9-10-18(16)20-13-26(14-22(27)28)21-6-4-3-5-19(20)21/h3-6,9-11,13,15H,2,7-8,12,14H2,1H3,(H,27,28)
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PC sid
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Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins wi...


Bioorg Med Chem Lett 24: 5123-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.029
BindingDB Entry DOI: 10.7270/Q2CF9RRW
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50034985
PNG
(CHEMBL3343111)
Show SMILES CCN(Cc1cc(F)ccc1-c1cn(CC(O)=O)c2ccccc12)C(=O)C1CC1
Show InChI InChI=1S/C23H23FN2O3/c1-2-25(23(29)15-7-8-15)12-16-11-17(24)9-10-18(16)20-13-26(14-22(27)28)21-6-4-3-5-19(20)21/h3-6,9-11,13,15H,2,7-8,12,14H2,1H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...


Bioorg Med Chem Lett 24: 5123-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.029
BindingDB Entry DOI: 10.7270/Q2CF9RRW
More data for this
Ligand-Target Pair