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BDBM21617 4-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-5-amine::Pyrazol-5-amine, 5

SMILES: COc1ccc(cc1OC)-c1cnn(c1N)-c1ccccc1

InChI Key: InChIKey=UQCKZDZYCHDCIU-UHFFFAOYSA-N

Data: 1 IC50

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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 = 21617   
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))
BDBM21617
PNG
(4-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-5-amin...)
Show SMILES COc1ccc(cc1OC)-c1cnn(c1N)-c1ccccc1
Show InChI InChI=1S/C17H17N3O2/c1-21-15-9-8-12(10-16(15)22-2)14-11-19-20(17(14)18)13-6-4-3-5-7-13/h3-11H,18H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+4n/an/an/an/a7.222



AstraZeneca



Assay Description
The PGDS glutathione-S-transferase (GST) activity was measured by using MonoChloroBimane (MCB) as a chromogenic substrate. The assay was run at 384-w...


J Med Chem 51: 2178-86 (2008)


Article DOI: 10.1021/jm701509k
BindingDB Entry DOI: 10.7270/Q2Z036FR
More data for this
Ligand-Target Pair