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BDBM50356665 CHEMBL1917580

SMILES: CS(=O)(=O)c1ccc(Cl)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O

InChI Key: InChIKey=GPCYWIOJCNFMQO-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50356665   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356665
PNG
(CHEMBL1917580)
Show SMILES CS(=O)(=O)c1ccc(Cl)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H12Cl2O5S/c1-25(22,23)14-5-6-15(19)11(9-14)2-3-12-8-13(18)4-7-16(12)24-10-17(20)21/h4-9H,10H2,1H3,(H,20,21)
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Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356665
PNG
(CHEMBL1917580)
Show SMILES CS(=O)(=O)c1ccc(Cl)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H12Cl2O5S/c1-25(22,23)14-5-6-15(19)11(9-14)2-3-12-8-13(18)4-7-16(12)24-10-17(20)21/h4-9H,10H2,1H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair