BindingDB logo
myBDB logout

BDBM72759 2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole::2-methyl-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-indole::2-methyl-3-[[4-(2-pyridyl)piperazino]methyl]-1H-indole::2-methyl-3-{[4-(2-pyridinyl)piperazino]methyl}-1H-indole::MLS000860449::SMR000458533::cid_2813100

SMILES: Cc1[nH]c2ccccc2c1CN1CCN(CC1)c1ccccn1

InChI Key: InChIKey=ZAXKSLQZANTESC-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 72759   
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
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM72759
PNG
(2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-...)
Show SMILES Cc1[nH]c2ccccc2c1CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of acidic mammalian chitinase after 60 mins


J Med Chem 53: 6122-8 (2010)


Article DOI: 10.1021/jm100533p
BindingDB Entry DOI: 10.7270/Q22N538H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hsf1 protein


(Mus musculus)
BDBM72759
PNG
(2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-...)
Show SMILES Cc1[nH]c2ccccc2c1CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
n/an/an/an/a 8.40E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair