BindingDB logo
myBDB logout

BDBM50312915 2-(2-(1,1-diphenylethyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid::CHEMBL1087622

SMILES: CC(c1nc(c(CC(O)=O)s1)-c1ccc(F)cc1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=NKUNQYZWFFFZEA-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 = 50312915   
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))
BDBM50312915
PNG
(2-(2-(1,1-diphenylethyl)-4-(4-fluorophenyl)thiazol...)
Show SMILES CC(c1nc(c(CC(O)=O)s1)-c1ccc(F)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20FNO2S/c1-25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)24-27-23(21(30-24)16-22(28)29)17-12-14-20(26)15-13-17/h2-15H,16H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0850n/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))
BDBM50312915
PNG
(2-(2-(1,1-diphenylethyl)-4-(4-fluorophenyl)thiazol...)
Show SMILES CC(c1nc(c(CC(O)=O)s1)-c1ccc(F)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20FNO2S/c1-25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)24-27-23(21(30-24)16-22(28)29)17-12-14-20(26)15-13-17/h2-15H,16H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.90n/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