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SMILES: COc1ccc(cc1)C(=O)N(CCCc1cccc(OCC(O)=O)c1)CCC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=LNXLQFQNRWWWLC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50362167   
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


(Cavia porcellus)
BDBM50362167
PNG
(CHEMBL1941129)
Show SMILES COc1ccc(cc1)C(=O)N(CCCc1cccc(OCC(O)=O)c1)CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H35NO5/c1-39-30-19-17-29(18-20-30)34(38)35(22-9-11-26-10-8-16-31(24-26)40-25-33(36)37)23-21-32(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-8,10,12-20,24,32H,9,11,21-23,25H2,1H3,(H,36,37)
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 17n/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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362167
PNG
(CHEMBL1941129)
Show SMILES COc1ccc(cc1)C(=O)N(CCCc1cccc(OCC(O)=O)c1)CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H35NO5/c1-39-30-19-17-29(18-20-30)34(38)35(22-9-11-26-10-8-16-31(24-26)40-25-33(36)37)23-21-32(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-8,10,12-20,24,32H,9,11,21-23,25H2,1H3,(H,36,37)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.5n/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