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BDBM385219 US10287267, Compound 481::US10508099, Compound 481::US10556885, Compound 481

SMILES: Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1

InChI Key: InChIKey=DVORMWKQZVEZCD-CQSZACIVSA-N

Data: 8 EC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 385219   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385219
PNG
(US10287267, Compound 481 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)12-4-5-13-10-20-17(8-15(13)7-12)21-18(25)14-3-2-6-19-9-14/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3,(H,20,21,25)/t14-/m1/s1
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n/an/an/an/a 4n/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 US10287267 (2019)


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


(Homo sapiens (human))
BDBM385219
PNG
(US10287267, Compound 481 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)12-4-5-13-10-20-17(8-15(13)7-12)21-18(25)14-3-2-6-19-9-14/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3,(H,20,21,25)/t14-/m1/s1
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n/an/an/an/a 1.54E+3n/an/an/an/a



Samumed, LLC

US Patent


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...


US Patent US10287267 (2019)


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


(Homo sapiens (Human))
BDBM385219
PNG
(US10287267, Compound 481 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)12-4-5-13-10-20-17(8-15(13)7-12)21-18(25)14-3-2-6-19-9-14/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3,(H,20,21,25)/t14-/m1/s1
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n/an/an/an/a 4.30n/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 US10287267 (2019)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385219
PNG
(US10287267, Compound 481 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)12-4-5-13-10-20-17(8-15(13)7-12)21-18(25)14-3-2-6-19-9-14/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3,(H,20,21,25)/t14-/m1/s1
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n/an/an/an/a 4n/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))
BDBM385219
PNG
(US10287267, Compound 481 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)12-4-5-13-10-20-17(8-15(13)7-12)21-18(25)14-3-2-6-19-9-14/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3,(H,20,21,25)/t14-/m1/s1
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n/an/an/an/a 4.30n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385219
PNG
(US10287267, Compound 481 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)12-4-5-13-10-20-17(8-15(13)7-12)21-18(25)14-3-2-6-19-9-14/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3,(H,20,21,25)/t14-/m1/s1
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n/an/an/an/a 4n/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))
BDBM385219
PNG
(US10287267, Compound 481 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)12-4-5-13-10-20-17(8-15(13)7-12)21-18(25)14-3-2-6-19-9-14/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3,(H,20,21,25)/t14-/m1/s1
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n/an/an/an/a 4.30n/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
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385219
PNG
(US10287267, Compound 481 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)12-4-5-13-10-20-17(8-15(13)7-12)21-18(25)14-3-2-6-19-9-14/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3,(H,20,21,25)/t14-/m1/s1
Reactome pathway

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n/an/an/an/a 1.54E+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