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BDBM50003548 CHEMBL335853::[4-(2,2-Diphenyl-thioacetyl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile; hydrate

SMILES: S=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)C(C#N)c1cccnc1

InChI Key: InChIKey=DXCWINALYPMAAL-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 = 50003548   
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)
BDBM50003548
PNG
(CHEMBL335853 | [4-(2,2-Diphenyl-thioacetyl)-pipera...)
Show SMILES S=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)C(C#N)c1cccnc1
Show InChI InChI=1S/C25H24N4S/c26-18-23(22-12-7-13-27-19-22)28-14-16-29(17-15-28)25(30)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,19,23-24H,14-17H2
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/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