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BDBM50309258 2-(2-(1-acetyl-4-phenylpiperidin-4-yl)-4-(4-chlorophenyl)thiazol-5-yl)acetic acid::CHEMBL591983

SMILES: CC(=O)N1CCC(CC1)(c1nc(c(CC(O)=O)s1)-c1ccc(Cl)cc1)c1ccccc1

InChI Key: InChIKey=KCGZQDCIVWKSRJ-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 = 50309258   
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))
BDBM50309258
PNG
(2-(2-(1-acetyl-4-phenylpiperidin-4-yl)-4-(4-chloro...)
Show SMILES CC(=O)N1CCC(CC1)(c1nc(c(CC(O)=O)s1)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C24H23ClN2O3S/c1-16(28)27-13-11-24(12-14-27,18-5-3-2-4-6-18)23-26-22(20(31-23)15-21(29)30)17-7-9-19(25)10-8-17/h2-10H,11-15H2,1H3,(H,29,30)
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PC sid
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Article
PubMed
n/an/a 52n/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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50309258
PNG
(2-(2-(1-acetyl-4-phenylpiperidin-4-yl)-4-(4-chloro...)
Show SMILES CC(=O)N1CCC(CC1)(c1nc(c(CC(O)=O)s1)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C24H23ClN2O3S/c1-16(28)27-13-11-24(12-14-27,18-5-3-2-4-6-18)23-26-22(20(31-23)15-21(29)30)17-7-9-19(25)10-8-17/h2-10H,11-15H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 550n/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