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BDBM50309270 2-(4-(4-chlorophenyl)-2-(4-phenoxyphenyl)thiazol-5-yl)acetic acid::CHEMBL590090

SMILES: OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)-c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=ISRQTYUCKOQIQL-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50309270   
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))
BDBM50309270
PNG
(2-(4-(4-chlorophenyl)-2-(4-phenoxyphenyl)thiazol-5...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H16ClNO3S/c24-17-10-6-15(7-11-17)22-20(14-21(26)27)29-23(25-22)16-8-12-19(13-9-16)28-18-4-2-1-3-5-18/h1-13H,14H2,(H,26,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK285-7 cells assessed as inhibition of beta arrestin translocation by bioluminescence reso...


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50309270
PNG
(2-(4-(4-chlorophenyl)-2-(4-phenoxyphenyl)thiazol-5...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H16ClNO3S/c24-17-10-6-15(7-11-17)22-20(14-21(26)27)29-23(25-22)16-8-12-19(13-9-16)28-18-4-2-1-3-5-18/h1-13H,14H2,(H,26,27)
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PubMed
n/an/a 93n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in african green monkey COS7 cells


Bioorg Med Chem Lett 20: 1177-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.008
BindingDB Entry DOI: 10.7270/Q25T3KMP
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50309270
PNG
(2-(4-(4-chlorophenyl)-2-(4-phenoxyphenyl)thiazol-5...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H16ClNO3S/c24-17-10-6-15(7-11-17)22-20(14-21(26)27)29-23(25-22)16-8-12-19(13-9-16)28-18-4-2-1-3-5-18/h1-13H,14H2,(H,26,27)
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PubMed
n/an/a 93n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK285-7 cells assessed as inhibition of beta arrestin translocation by bioluminescence reso...


Bioorg Med Chem Lett 20: 1177-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.008
BindingDB Entry DOI: 10.7270/Q25T3KMP
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50309270
PNG
(2-(4-(4-chlorophenyl)-2-(4-phenoxyphenyl)thiazol-5...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H16ClNO3S/c24-17-10-6-15(7-11-17)22-20(14-21(26)27)29-23(25-22)16-8-12-19(13-9-16)28-18-4-2-1-3-5-18/h1-13H,14H2,(H,26,27)
PDB

Reactome pathway
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 93n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair