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SMILES: OC(=O)CCCOc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1

InChI Key: InChIKey=VMMHBVUKRFYWDE-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50362165   
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))
BDBM50362165
PNG
(CHEMBL1941127)
Show SMILES OC(=O)CCCOc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H30N2O4/c33-28-19-18-27(30(24-12-3-1-4-13-24)25-14-5-2-6-15-25)31-32(28)20-8-11-23-10-7-16-26(22-23)36-21-9-17-29(34)35/h1-7,10,12-16,18-19,22,30H,8-9,11,17,20-21H2,(H,34,35)
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Article
PubMed
n/an/a 13n/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
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50362165
PNG
(CHEMBL1941127)
Show SMILES OC(=O)CCCOc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H30N2O4/c33-28-19-18-27(30(24-12-3-1-4-13-24)25-14-5-2-6-15-25)31-32(28)20-8-11-23-10-7-16-26(22-23)36-21-9-17-29(34)35/h1-7,10,12-16,18-19,22,30H,8-9,11,17,20-21H2,(H,34,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 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


(Cavia porcellus)
BDBM50362165
PNG
(CHEMBL1941127)
Show SMILES OC(=O)CCCOc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H30N2O4/c33-28-19-18-27(30(24-12-3-1-4-13-24)25-14-5-2-6-15-25)31-32(28)20-8-11-23-10-7-16-26(22-23)36-21-9-17-29(34)35/h1-7,10,12-16,18-19,22,30H,8-9,11,17,20-21H2,(H,34,35)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 52n/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