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BDBM50452164 CHEMBL4214049

SMILES: C[C@@H](NC(=O)c1ccc2c(cc(CCCCC(O)=O)[nH]c2=O)c1)c1ccc(F)cc1

InChI Key: InChIKey=LXNRROOOBKJXCF-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50452164   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50452164
PNG
(CHEMBL4214049)
Show SMILES C[C@@H](NC(=O)c1ccc2c(cc(CCCCC(O)=O)[nH]c2=O)c1)c1ccc(F)cc1
Show InChI InChI=1S/C13H20N2O/c1-15(2)7-6-10-9-14-13-8-11(16-3)4-5-12(10)13/h4-5,8,10,14H,6-7,9H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
703n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTh2 expressed in HEK cells assessed as inhibition of DK-PGD2-mediated attenuation of forskolin-induced cAMP accumulati...


Bioorg Med Chem Lett 27: 5344-5348 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.064
BindingDB Entry DOI: 10.7270/Q2HX1G7W
More data for this
Ligand-Target Pair