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BDBM50084268 CHEMBL3425969

SMILES: FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1ccc(=O)[nH]c1

InChI Key: InChIKey=PBYRSLXINVSNLJ-UHFFFAOYSA-N

Data: 1 Kd

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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 = 50084268   
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))
BDBM50084268
PNG
(CHEMBL3425969)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C18H19F3N4O2/c19-18(20,21)11-25-7-5-14(6-8-25)24-17(27)13-1-3-15(22-10-13)12-2-4-16(26)23-9-12/h1-4,9-10,14H,5-8,11H2,(H,23,26)(H,24,27)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.00E+4n/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