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BDBM50417728 CHEMBL1644217

SMILES: COc1nc(NCCc2ccc(F)cc2F)cc(n1)-c1cccc(c1)C(O)=O

InChI Key: InChIKey=ZINBWMRNPGUNCM-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 = 50417728   
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))
BDBM50417728
PNG
(CHEMBL1644217)
Show SMILES COc1nc(NCCc2ccc(F)cc2F)cc(n1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H17F2N3O3/c1-28-20-24-17(13-3-2-4-14(9-13)19(26)27)11-18(25-20)23-8-7-12-5-6-15(21)10-16(12)22/h2-6,9-11H,7-8H2,1H3,(H,26,27)(H,23,24,25)
UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.794n/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