BindingDB logo
myBDB logout

BDBM50417774 CHEMBL1644256

SMILES: COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)-c2cnco2)cc1

InChI Key: InChIKey=BPCFBUPFVULQSB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50417774   
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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417774
PNG
(CHEMBL1644256)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)-c2cnco2)cc1
Show InChI InChI=1S/C23H22N4O3/c1-28-19-8-6-16(7-9-19)10-11-25-22-13-20(26-23(27-22)29-2)17-4-3-5-18(12-17)21-14-24-15-30-21/h3-9,12-15H,10-11H2,1-2H3,(H,25,26,27)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.57n/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