BindingDB logo
myBDB logout

BDBM64825 1-(2-chlorobenzyl)-4-(4-phenylpiperazino)pyrazolo[3,4-d]pyrimidine::1-[(2-chlorophenyl)methyl]-4-(4-phenyl-1-piperazinyl)pyrazolo[3,4-d]pyrimidine::1-[(2-chlorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine::MLS-0435434.0001::cid_8037844

SMILES: Clc1ccccc1Cn1ncc2c(ncnc12)N1CCN(CC1)c1ccccc1

InChI Key: InChIKey=BNOATZKJNDWSSW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 64825   
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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM64825
PNG
(1-(2-chlorobenzyl)-4-(4-phenylpiperazino)pyrazolo[...)
Show SMILES Clc1ccccc1Cn1ncc2c(ncnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H21ClN6/c23-20-9-5-4-6-17(20)15-29-22-19(14-26-29)21(24-16-25-22)28-12-10-27(11-13-28)18-7-2-1-3-8-18/h1-9,14,16H,10-13,15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F47MKR
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM64825
PNG
(1-(2-chlorobenzyl)-4-(4-phenylpiperazino)pyrazolo[...)
Show SMILES Clc1ccccc1Cn1ncc2c(ncnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H21ClN6/c23-20-9-5-4-6-17(20)15-29-22-19(14-26-29)21(24-16-25-22)28-12-10-27(11-13-28)18-7-2-1-3-8-18/h1-9,14,16H,10-13,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair