BindingDB logo
myBDB logout

BDBM50309324 2-(4-(2-amino-6-fluoropyridin-4-yl)-2-(bis(4-fluorophenyl)methyl)thiazol-5-yl)acetic acid::CHEMBL591749

SMILES: Nc1cc(cc(F)n1)-c1nc(sc1CC(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=HINLKZQFOOWQSN-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 = 50309324   
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))
BDBM50309324
PNG
(2-(4-(2-amino-6-fluoropyridin-4-yl)-2-(bis(4-fluor...)
Show SMILES Nc1cc(cc(F)n1)-c1nc(sc1CC(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H16F3N3O2S/c24-15-5-1-12(2-6-15)21(13-3-7-16(25)8-4-13)23-29-22(17(32-23)11-20(30)31)14-9-18(26)28-19(27)10-14/h1-10,21H,11H2,(H2,27,28)(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+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))
BDBM50309324
PNG
(2-(4-(2-amino-6-fluoropyridin-4-yl)-2-(bis(4-fluor...)
Show SMILES Nc1cc(cc(F)n1)-c1nc(sc1CC(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H16F3N3O2S/c24-15-5-1-12(2-6-15)21(13-3-7-16(25)8-4-13)23-29-22(17(32-23)11-20(30)31)14-9-18(26)28-19(27)10-14/h1-10,21H,11H2,(H2,27,28)(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/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