BindingDB logo
myBDB logout

BDBM50312917 2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)thiazol-5-yloxy)acetic acid::CHEMBL1086856

SMILES: OC(=O)COc1sc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=DQFSKGLGNLOGRN-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 = 50312917   
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))
BDBM50312917
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)COc1sc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H16F3NO3S/c25-17-8-4-14(5-9-17)21(15-6-10-18(26)11-7-15)23-28-22(16-2-1-3-19(27)12-16)24(32-23)31-13-20(29)30/h1-12,21H,13H2,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312917
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)COc1sc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H16F3NO3S/c25-17-8-4-14(5-9-17)21(15-6-10-18(26)11-7-15)23-28-22(16-2-1-3-19(27)12-16)24(32-23)31-13-20(29)30/h1-12,21H,13H2,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/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: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair