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BDBM50084266 CHEMBL3425967

SMILES: COc1cc(ccn1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1

InChI Key: InChIKey=PBMSYXBNEZHNKL-UHFFFAOYSA-N

Data: 1 Kd

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

Found 1 hit for monomerid = 50084266   
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
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50084266
PNG
(CHEMBL3425967)
Show SMILES COc1cc(ccn1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C19H21F3N4O2/c1-28-17-10-13(4-7-23-17)16-3-2-14(11-24-16)18(27)25-15-5-8-26(9-6-15)12-19(20,21)22/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H,25,27)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair