BindingDB logo
myBDB logout

BDBM50003528 CHEMBL545072::{4-[2-(Benzhydryl-methyl-amino)-acetyl]-piperazin-1-yl}-pyridin-3-yl-acetonitrile; trihydrochloride; hydrate

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

InChI Key: InChIKey=WEPXFVXCYUTLIF-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50003528   
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)
BDBM50003528
PNG
(CHEMBL545072 | {4-[2-(Benzhydryl-methyl-amino)-ace...)
Show SMILES CN(CC(=O)N1CCN(CC1)C(C#N)c1cccnc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29N5O/c1-30(27(22-9-4-2-5-10-22)23-11-6-3-7-12-23)21-26(33)32-17-15-31(16-18-32)25(19-28)24-13-8-14-29-20-24/h2-14,20,25,27H,15-18,21H2,1H3
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/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