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BDBM50362161 CHEMBL1941122

SMILES: OC(=O)COc1cccc(OCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1

InChI Key: InChIKey=FCFSDBQRYVABQI-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 = 50362161   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362161
PNG
(CHEMBL1941122)
Show SMILES OC(=O)COc1cccc(OCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H25NO5/c30-26-15-14-23(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)19-29(26)16-17-33-24-12-7-13-25(18-24)34-20-27(31)32/h1-15,18-19,28H,16-17,20H2,(H,31,32)
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 797n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362161
PNG
(CHEMBL1941122)
Show SMILES OC(=O)COc1cccc(OCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H25NO5/c30-26-15-14-23(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)19-29(26)16-17-33-24-12-7-13-25(18-24)34-20-27(31)32/h1-15,18-19,28H,16-17,20H2,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair