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BDBM50417732 CHEMBL1644223

SMILES: COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(F)c(CN)c2)cc1

InChI Key: InChIKey=HAPGMWPOTFYQBK-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50417732   
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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417732
PNG
(CHEMBL1644223)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(F)c(CN)c2)cc1
Show InChI InChI=1S/C21H23FN4O2/c1-27-17-6-3-14(4-7-17)9-10-24-20-12-19(25-21(26-20)28-2)15-5-8-18(22)16(11-15)13-23/h3-8,11-12H,9-10,13,23H2,1-2H3,(H,24,25,26)
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UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40.7n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair