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Record - 1 of 2   [TOP]
Compound IDNVIC0050
Compound Structure
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Inhibitor1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC1=CC(=CC=C1)CC2=NN(C3=NC=NC(=C23)N)C(C)(C)C
PubChem ID 24865390
Drug Bank IDDB08699
ChemSpider ID23976079
TargetCalcium/calmodulin-dependent protein kinase 2 delta
Assay Type\N
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcome\N
Molecular Weight (in g/mol)295.38
H-bond Acceptor2
H-bond Donor1
No. of Rotatable Bonds3
LogP4.64
Topological Polar Surface Area (Å)69.62
PUBMED ID28904190
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5686741/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0102
Compound Structure
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InhibitorBosutinib
SMILESCN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC
PubChem ID 5328940
Drug Bank IDDB06616
ChemSpider ID4486102
TargetCalcium/calmodulin-dependent protein kinase 2 delta
Assay Type\N
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcome\N
Molecular Weight (in g/mol)530.45
H-bond Acceptor8
H-bond Donor1
No. of Rotatable Bonds9
LogP2.57
Topological Polar Surface Area (Å)82.88
PUBMED ID28904190
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5686741/
Curator Email IDkanikatuteja@gmail.com