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SMILES: CC(C)CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1

InChI Key: InChIKey=RACJKCSKSMIACD-UHFFFAOYSA-N

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 10 hits for monomerid = 385116   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385116
PNG
(US10287267, Compound 272 | US10508099, Compound 27...)
Show SMILES CC(C)CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C23H30N6O/c1-17(2)14-28-6-8-29(9-7-28)16-23(30)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15,17H,6-9,14,16H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 105n/an/an/an/a



Novartis



Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385116
PNG
(US10287267, Compound 272 | US10508099, Compound 27...)
Show SMILES CC(C)CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C23H30N6O/c1-17(2)14-28-6-8-29(9-7-28)16-23(30)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15,17H,6-9,14,16H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 3.75E+3n/an/an/an/a



Novartis



Assay Description
The screening assay for Wnt activity is described as follows. Reporter cell lines can be generated by stably transducing cancer cell lines (e.g., col...


J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385116
PNG
(US10287267, Compound 272 | US10508099, Compound 27...)
Show SMILES CC(C)CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C23H30N6O/c1-17(2)14-28-6-8-29(9-7-28)16-23(30)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15,17H,6-9,14,16H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 14n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...


J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385116
PNG
(US10287267, Compound 272 | US10508099, Compound 27...)
Show SMILES CC(C)CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C23H30N6O/c1-17(2)14-28-6-8-29(9-7-28)16-23(30)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15,17H,6-9,14,16H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 3.75E+3n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385116
PNG
(US10287267, Compound 272 | US10508099, Compound 27...)
Show SMILES CC(C)CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C23H30N6O/c1-17(2)14-28-6-8-29(9-7-28)16-23(30)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15,17H,6-9,14,16H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 105n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385116
PNG
(US10287267, Compound 272 | US10508099, Compound 27...)
Show SMILES CC(C)CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C23H30N6O/c1-17(2)14-28-6-8-29(9-7-28)16-23(30)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15,17H,6-9,14,16H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 105n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385116
PNG
(US10287267, Compound 272 | US10508099, Compound 27...)
Show SMILES CC(C)CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C23H30N6O/c1-17(2)14-28-6-8-29(9-7-28)16-23(30)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15,17H,6-9,14,16H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 14n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer's instructions. This is a non-radioactive...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385116
PNG
(US10287267, Compound 272 | US10508099, Compound 27...)
Show SMILES CC(C)CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C23H30N6O/c1-17(2)14-28-6-8-29(9-7-28)16-23(30)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15,17H,6-9,14,16H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 105n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385116
PNG
(US10287267, Compound 272 | US10508099, Compound 27...)
Show SMILES CC(C)CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C23H30N6O/c1-17(2)14-28-6-8-29(9-7-28)16-23(30)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15,17H,6-9,14,16H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 14n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385116
PNG
(US10287267, Compound 272 | US10508099, Compound 27...)
Show SMILES CC(C)CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C23H30N6O/c1-17(2)14-28-6-8-29(9-7-28)16-23(30)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15,17H,6-9,14,16H2,1-3H3,(H,24,26,30)
PDB
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UniProtKB/SwissProt

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n/an/an/an/a 14n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair