BDBM50246162 CHEMBL472392::N3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N6-(4-(piperazin-1-yl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine::N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

SMILES Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C

InChI Key InChIKey=RDCUCMDUDZPOOV-UHFFFAOYSA-N

Data  2 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50246162   

TargetActivated CDC42 kinase 1(Human)
University of South Florida

Curated by ChEMBL
LigandPNGBDBM50246162(N3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl...)
Affinity DataIC50: 20nMAssay Description:Inhibition of ACK1 kinase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetActivated CDC42 kinase 1(Human)
University of South Florida

Curated by ChEMBL
LigandPNGBDBM50246162(N3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl...)
Affinity DataKi:  2nMAssay Description:Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) expressed in SF9 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetActivated CDC42 kinase 1(Human)
University of South Florida

Curated by ChEMBL
LigandPNGBDBM50246162(N3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl...)
Affinity DataKi:  10nMAssay Description:Inhibition of flag-tagged ACK1 autophosphorylation expressed in human 293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)