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BDBM50381826 CHEMBL2023652

SMILES: CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12

InChI Key: InChIKey=ZMDOKHUBRVKYOC-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50381826   
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))
BDBM50381826
PNG
(CHEMBL2023652)
Show SMILES CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C26H18Cl2N2O4/c1-30(26(34)16-8-11-21(27)22(28)12-16)18-9-6-15(7-10-18)25(33)24-20-5-3-2-4-19(20)17(14-29-24)13-23(31)32/h2-12,14H,13H2,1H3,(H,31,32)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 210n/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))
BDBM50381826
PNG
(CHEMBL2023652)
Show SMILES CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C26H18Cl2N2O4/c1-30(26(34)16-8-11-21(27)22(28)12-16)18-9-6-15(7-10-18)25(33)24-20-5-3-2-4-19(20)17(14-29-24)13-23(31)32/h2-12,14H,13H2,1H3,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/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