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SMILES: OC(=O)Cc1cnc(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12

InChI Key: InChIKey=YMPXGIZXNHACLP-UHFFFAOYSA-N

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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 = 50381828   
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))
BDBM50381828
PNG
(CHEMBL2023654)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C24H16Cl2N2O5S/c25-20-10-9-17(12-21(20)26)34(32,33)28-16-7-5-14(6-8-16)24(31)23-19-4-2-1-3-18(19)15(13-27-23)11-22(29)30/h1-10,12-13,28H,11H2,(H,29,30)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/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))
BDBM50381828
PNG
(CHEMBL2023654)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C24H16Cl2N2O5S/c25-20-10-9-17(12-21(20)26)34(32,33)28-16-7-5-14(6-8-16)24(31)23-19-4-2-1-3-18(19)15(13-27-23)11-22(29)30/h1-10,12-13,28H,11H2,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/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