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BDBM50003532 CHEMBL554398::{4-[2-(Methyl-phenyl-amino)-acetyl]-piperazin-1-yl}-pyridin-3-yl-acetonitrile; trihydrochloride; hydrate

SMILES: CN(CC(=O)N1CCN(CC1)C(C#N)c1cccnc1)c1ccccc1

InChI Key: InChIKey=CRTZYQZKKFASQW-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 = 50003532   
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50003532
PNG
(CHEMBL554398 | {4-[2-(Methyl-phenyl-amino)-acetyl]...)
Show SMILES CN(CC(=O)N1CCN(CC1)C(C#N)c1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-23(18-7-3-2-4-8-18)16-20(26)25-12-10-24(11-13-25)19(14-21)17-6-5-9-22-15-17/h2-9,15,19H,10-13,16H2,1H3
MMDB

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Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



J. Uriach& C£a.S.A.

Curated by ChEMBL


Assay Description
Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-Antagonistic activity) by 50%.


J Med Chem 35: 4118-34 (1992)


Article DOI: 10.1021/jm00100a018
BindingDB Entry DOI: 10.7270/Q228087F
More data for this
Ligand-Target Pair