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)	Ligand	Target/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	pH	Temp °C
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM16224 (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 Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	7.2	22
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 (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 Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	7.2	22
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 Structure (crystal)