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BDBM16224 6-phenylpurine compound 6::N-methyl-1-[4-(9H-purin-6-yl)phenyl]methanamine::methyl({[4-(9H-purin-6-yl)phenyl]methyl})amine

SMILES: CNCc1ccc(cc1)-c1ncnc2nc[nH]c12

InChI Key: InChIKey=VRGSDHJXBVCQEL-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 16224   
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
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM16224
PNG
(6-phenylpurine compound 6 | N-methyl-1-[4-(9H-puri...)
Show SMILES CNCc1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.90E+3n/an/an/an/a7.222



Astex



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


J Med Chem 50: 2289-92 (2007)


Article DOI: 10.1021/jm0700924
BindingDB Entry DOI: 10.7270/Q2M32T1C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM16224
PNG
(6-phenylpurine compound 6 | N-methyl-1-[4-(9H-puri...)
Show SMILES CNCc1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)


Article DOI: 10.1021/jm701437d
BindingDB Entry DOI: 10.7270/Q2X63NV8
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16224
PNG
(6-phenylpurine compound 6 | N-methyl-1-[4-(9H-puri...)
Show SMILES CNCc1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 5.20E+3n/an/an/an/a7.222



Astex



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


J Med Chem 50: 2289-92 (2007)


Article DOI: 10.1021/jm0700924
BindingDB Entry DOI: 10.7270/Q2M32T1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)