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SMILES: OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c2ccccc12

InChI Key: InChIKey=HJZWZCDAIFUSIC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50381833   
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))
BDBM50381833
PNG
(CHEMBL2023639)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c2ccccc12
Show InChI InChI=1S/C25H24N2O4/c28-22(29)14-18-15-26-23(21-9-5-4-8-20(18)21)24(30)16-10-12-19(13-11-16)27-25(31)17-6-2-1-3-7-17/h4-5,8-13,15,17H,1-3,6-7,14H2,(H,27,31)(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis


Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50381833
PNG
(CHEMBL2023639)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c2ccccc12
Show InChI InChI=1S/C25H24N2O4/c28-22(29)14-18-15-26-23(21-9-5-4-8-20(18)21)24(30)16-10-12-19(13-11-16)27-25(31)17-6-2-1-3-7-17/h4-5,8-13,15,17H,1-3,6-7,14H2,(H,27,31)(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 3305-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50381833
PNG
(CHEMBL2023639)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c2ccccc12
Show InChI InChI=1S/C25H24N2O4/c28-22(29)14-18-15-26-23(21-9-5-4-8-20(18)21)24(30)16-10-12-19(13-11-16)27-25(31)17-6-2-1-3-7-17/h4-5,8-13,15,17H,1-3,6-7,14H2,(H,27,31)(H,28,29)
PDB

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antibodypedia
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UniChem

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Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 transfected in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ by fluo-4AM d...


Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair