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SMILES: CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C

InChI Key: InChIKey=ZKOWFDJIWGKOEU-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 12 hits for monomerid = 385124   
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385124
PNG
(US10287267, Compound 280 | US10508099, Compound 28...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)26-19-11-18-10-16(4-5-17(18)12-24-19)20-27-25-14-28(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 10.8n/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q25X2DVD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM385124
PNG
(US10287267, Compound 280 | US10508099, Compound 28...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)26-19-11-18-10-16(4-5-17(18)12-24-19)20-27-25-14-28(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 185n/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))		BDBM385124
PNG
(US10287267, Compound 280 | US10508099, Compound 28...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)26-19-11-18-10-16(4-5-17(18)12-24-19)20-27-25-14-28(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 2.33E+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))		BDBM385124
PNG
(US10287267, Compound 280 | US10508099, Compound 28...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)26-19-11-18-10-16(4-5-17(18)12-24-19)20-27-25-14-28(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 10.8n/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))		BDBM385124
PNG
(US10287267, Compound 280 | US10508099, Compound 28...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)26-19-11-18-10-16(4-5-17(18)12-24-19)20-27-25-14-28(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,26,30)
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US Patent
n/an/an/an/a 2.33E+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))		BDBM385124
PNG
(US10287267, Compound 280 | US10508099, Compound 28...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)26-19-11-18-10-16(4-5-17(18)12-24-19)20-27-25-14-28(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 185n/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q25X2DVD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM385124
PNG
(US10287267, Compound 280 | US10508099, Compound 28...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)26-19-11-18-10-16(4-5-17(18)12-24-19)20-27-25-14-28(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 185n/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))		BDBM385124
PNG
(US10287267, Compound 280 | US10508099, Compound 28...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)26-19-11-18-10-16(4-5-17(18)12-24-19)20-27-25-14-28(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 10.8n/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))		BDBM385124
PNG
(US10287267, Compound 280 | US10508099, Compound 28...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)26-19-11-18-10-16(4-5-17(18)12-24-19)20-27-25-14-28(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 185n/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))		BDBM385124
PNG
(US10287267, Compound 280 | US10508099, Compound 28...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)26-19-11-18-10-16(4-5-17(18)12-24-19)20-27-25-14-28(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 10.8n/an/an/an/a


TBA

Assay Description
The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Divis...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z63
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM385124
PNG
(US10287267, Compound 280 | US10508099, Compound 28...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)26-19-11-18-10-16(4-5-17(18)12-24-19)20-27-25-14-28(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 185n/an/an/an/a


TBA

Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z63
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385124
PNG
(US10287267, Compound 280 | US10508099, Compound 28...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)26-19-11-18-10-16(4-5-17(18)12-24-19)20-27-25-14-28(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,26,30)
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n/an/an/an/a 10.8n/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