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BDBM50344986 2-(5-chloro-4'-(ethylsulfonyl)-2'-fluorobiphenyl-2-yloxy)acetic acid::CHEMBL1778644

SMILES: CCS(=O)(=O)c1ccc(c(F)c1)-c1cc(Cl)ccc1OCC(O)=O

InChI Key: InChIKey=MNOSYFBXUCZGCA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50344986   
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
Bile salt export pump


(Homo sapiens (Human))
BDBM50344986
PNG
(2-(5-chloro-4'-(ethylsulfonyl)-2'-fluorobiphenyl-2...)
Show SMILES CCS(=O)(=O)c1ccc(c(F)c1)-c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C16H14ClFO5S/c1-2-24(21,22)11-4-5-12(14(18)8-11)13-7-10(17)3-6-15(13)23-9-16(19)20/h3-8H,2,9H2,1H3,(H,19,20)
PDB

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.68E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50344986
PNG
(2-(5-chloro-4'-(ethylsulfonyl)-2'-fluorobiphenyl-2...)
Show SMILES CCS(=O)(=O)c1ccc(c(F)c1)-c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C16H14ClFO5S/c1-2-24(21,22)11-4-5-12(14(18)8-11)13-7-10(17)3-6-15(13)23-9-16(19)20/h3-8H,2,9H2,1H3,(H,19,20)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay


Bioorg Med Chem Lett 21: 3616-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.101
BindingDB Entry DOI: 10.7270/Q2S46S9Z
More data for this
Ligand-Target Pair