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BDBM50326705 3-bromo-4-(4-(2-methoxyphenyl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine::CHEMBL1254209

SMILES: COc1ccccc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12

InChI Key: InChIKey=CQXAPCMYRSTDGK-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 = 50326705   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50326705
PNG
(3-bromo-4-(4-(2-methoxyphenyl)piperazin-1-yl)-1H-p...)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12
Show InChI InChI=1S/C16H17BrN6O/c1-24-12-5-3-2-4-11(12)22-6-8-23(9-7-22)16-13-14(17)20-21-15(13)18-10-19-16/h2-5,10H,6-9H2,1H3,(H,18,19,20,21)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Nat Chem Biol 5: 484-93 (2009)


Article DOI: 10.1038/nchembio.183
BindingDB Entry DOI: 10.7270/Q2D21XTB
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM50326705
PNG
(3-bromo-4-(4-(2-methoxyphenyl)piperazin-1-yl)-1H-p...)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12
Show InChI InChI=1S/C16H17BrN6O/c1-24-12-5-3-2-4-11(12)22-6-8-23(9-7-22)16-13-14(17)20-21-15(13)18-10-19-16/h2-5,10H,6-9H2,1H3,(H,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of S6K1


Nat Chem Biol 5: 484-93 (2009)


Article DOI: 10.1038/nchembio.183
BindingDB Entry DOI: 10.7270/Q2D21XTB
More data for this
Ligand-Target Pair