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Patent code US10287267

Compile Data Set for Download or QSAR

Found 951 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM385182
PNG
(US10287267, Compound 344)
Show SMILES C[C@H]1CN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)C[C@@H](C)O1
Show InChI InChI=1S/C21H25N5O2/c1-14-10-26(11-15(2)28-14)13-21(27)24-20-7-18-6-16(4-5-17(18)8-22-20)19-9-23-25(3)12-19/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,22,24,27)/t14-,15+
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n/an/an/an/a 10.5n/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)

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


(Homo sapiens (Human))
BDBM385185
PNG
(US10287267, Compound 347)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3C4CCC3COC4)cc2c1
Show InChI InChI=1S/C21H23N5O2/c1-25-10-17(9-23-25)14-2-3-15-8-22-20(7-16(15)6-14)24-21(27)11-26-18-4-5-19(26)13-28-12-18/h2-3,6-10,18-19H,4-5,11-13H2,1H3,(H,22,24,27)
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n/an/an/an/a 10.4n/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)

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


(Homo sapiens (Human))
BDBM385192
PNG
(US10287267, Compound 354)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCN(CCF)CC3)cc2c1
Show InChI InChI=1S/C21H25FN6O/c1-26-14-19(13-24-26)16-2-3-17-12-23-20(11-18(17)10-16)25-21(29)15-28-8-6-27(5-4-22)7-9-28/h2-3,10-14H,4-9,15H2,1H3,(H,23,25,29)
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n/an/an/an/a 4.40n/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)

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


(Homo sapiens (Human))
BDBM385194
PNG
(US10287267, Compound 358)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1
Show InChI InChI=1S/C21H25N5O2/c1-25-14-19(13-23-25)16-2-3-17-12-22-20(11-18(17)10-16)24-21(28)15-4-6-26(7-5-15)8-9-27/h2-3,10-15,27H,4-9H2,1H3,(H,22,24,28)
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n/an/an/an/a 0.600n/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)

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


(Homo sapiens (Human))
BDBM385198
PNG
(US10287267, Compound 363)
Show SMILES CN1CCC[C@@H]1C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C19H21N5O/c1-23-7-3-4-17(23)19(25)22-18-9-15-8-13(5-6-14(15)10-20-18)16-11-21-24(2)12-16/h5-6,8-12,17H,3-4,7H2,1-2H3,(H,20,22,25)/t17-/m1/s1
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n/an/an/an/a 50.3n/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)

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


(Homo sapiens (Human))
BDBM385200
PNG
(US10287267, Compound 365)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](N)CC3)cc2c1
Show InChI InChI=1S/C20H23N5O/c1-25-12-17(11-23-25)14-2-3-15-10-22-19(9-16(15)8-14)24-20(26)13-4-6-18(21)7-5-13/h2-3,8-13,18H,4-7,21H2,1H3,(H,22,24,26)/t13-,18-
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n/an/an/an/a 2.70n/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)

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


(Homo sapiens (Human))
BDBM385219
PNG
(US10287267, Compound 481)
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)

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


(Homo sapiens (Human))
BDBM385222
PNG
(US10287267, Compound 500)
Show SMILES CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1
Show InChI InChI=1S/C19H23N7O/c1-24-5-7-26(8-6-24)13-19(27)21-18-10-16-9-14(3-4-15(16)11-20-18)17-12-25(2)23-22-17/h3-4,9-12H,5-8,13H2,1-2H3,(H,20,21,27)
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n/an/an/an/a 10.6n/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)

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


(Homo sapiens (Human))
BDBM385345
PNG
(US10287267, Compound 1032)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CCC(CC3)C(O)=O)cc2c1
Show InChI InChI=1S/C21H22N4O3/c1-25-12-18(11-23-25)15-6-7-16-10-22-19(9-17(16)8-15)24-20(26)13-2-4-14(5-3-13)21(27)28/h6-14H,2-5H2,1H3,(H,27,28)(H,22,24,26)/t13-,14?
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n/an/an/an/a 72n/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)

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


(Homo sapiens (Human))
BDBM385357
PNG
(US10287267, Compound 1061)
Show SMILES Cc1ncc(o1)-c1ccc2cnc(NC(=O)C3C[C@@H](C3)N3CCOCC3)cc2c1
Show InChI InChI=1S/C22H24N4O3/c1-14-23-13-20(29-14)15-2-3-16-12-24-21(11-17(16)8-15)25-22(27)18-9-19(10-18)26-4-6-28-7-5-26/h2-3,8,11-13,18-19H,4-7,9-10H2,1H3,(H,24,25,27)/t18?,19-
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n/an/an/an/a 8n/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)

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


(Homo sapiens (Human))
BDBM385360
PNG
(US10287267, Compound 1068)
Show SMILES Cc1ncc(o1)-c1ccc2cnc(NC(=O)CCN3CCOCC3)cc2c1
Show InChI InChI=1S/C20H22N4O3/c1-14-21-13-18(27-14)15-2-3-16-12-22-19(11-17(16)10-15)23-20(25)4-5-24-6-8-26-9-7-24/h2-3,10-13H,4-9H2,1H3,(H,22,23,25)
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n/an/an/an/a 36n/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)

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


(Homo sapiens (Human))
BDBM385369
PNG
(US10287267, Compound 1079)
Show SMILES CC(C)CN1CCCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C24H31N5O/c1-17(2)15-29-9-4-5-18(8-10-29)24(30)27-23-12-21-11-19(6-7-20(21)13-25-23)22-14-26-28(3)16-22/h6-7,11-14,16-18H,4-5,8-10,15H2,1-3H3,(H,25,27,30)
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n/an/an/an/a 48n/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)

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


(Homo sapiens (Human))
BDBM385067
PNG
(US10287267, Compound 1085 | US10287267, Compound 7...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1
Show InChI InChI=1S/C19H21N5O/c1-24-12-17(11-22-24)14-2-3-15-10-21-18(9-16(15)8-14)23-19(25)13-4-6-20-7-5-13/h2-3,8-13,20H,4-7H2,1H3,(H,21,23,25)
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n/an/an/an/a 83n/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)

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


(Homo sapiens (Human))
BDBM385380
PNG
(US10287267, Compound 1091)
Show SMILES CN1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C26H32N6O2/c1-30-9-11-32(12-10-30)26(34)19-5-3-18(4-6-19)25(33)29-24-14-22-13-20(7-8-21(22)15-27-24)23-16-28-31(2)17-23/h7-8,13-19H,3-6,9-12H2,1-2H3,(H,27,29,33)/t18-,19-
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n/an/an/an/a 69n/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)

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


(Homo sapiens (Human))
BDBM385223
PNG
(US10287267, Compound 513)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)CN3C4CCC3CC4)cc2c1
Show InChI InChI=1S/C20H22N6O/c1-25-11-18(23-24-25)13-2-3-14-10-21-19(9-15(14)8-13)22-20(27)12-26-16-4-5-17(26)7-6-16/h2-3,8-11,16-17H,4-7,12H2,1H3,(H,21,22,27)
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n/an/an/an/a 10.4n/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)

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


(Homo sapiens (Human))
BDBM385254
PNG
(US10287267, Compound 791)
Show SMILES Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(CCF)C4)cc2c1
Show InChI InChI=1S/C28H35FN6O/c1-33-25(17-34-8-3-2-4-9-34)24(16-31-33)20-5-6-21-15-30-26(12-22(21)11-20)32-27(36)23-13-28(14-23)18-35(19-28)10-7-29/h5-6,11-12,15-16,23H,2-4,7-10,13-14,17-19H2,1H3,(H,30,32,36)
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n/an/an/an/a 2.20n/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)

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


(Homo sapiens (Human))
BDBM385257
PNG
(US10287267, Compound 803)
Show SMILES Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)[C@H]3CCCN3)cc2c1
Show InChI InChI=1S/C24H30N6O/c1-29-22(16-30-10-3-2-4-11-30)20(15-27-29)17-7-8-18-14-26-23(13-19(18)12-17)28-24(31)21-6-5-9-25-21/h7-8,12-15,21,25H,2-6,9-11,16H2,1H3,(H,26,28,31)/t21-/m1/s1
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n/an/an/an/a 12.6n/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)

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


(Homo sapiens (Human))
BDBM385259
PNG
(US10287267, Compound 826)
Show SMILES Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C3COC3)cc2c1
Show InChI InChI=1S/C28H36N6O2/c1-32-26(17-33-9-3-2-4-10-33)25(16-30-32)21-5-6-22-15-29-27(14-23(22)13-21)31-28(35)20-7-11-34(12-8-20)24-18-36-19-24/h5-6,13-16,20,24H,2-4,7-12,17-19H2,1H3,(H,29,31,35)
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n/an/an/an/a 3.90n/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)

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


(Homo sapiens (Human))
BDBM385262
PNG
(US10287267, Compound 851)
Show SMILES CC1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2CN2CCCCC2)CC1
Show InChI InChI=1S/C27H36N6O/c1-20-8-12-33(13-9-20)19-27(34)30-26-15-23-14-21(6-7-22(23)16-28-26)24-17-29-31(2)25(24)18-32-10-4-3-5-11-32/h6-7,14-17,20H,3-5,8-13,18-19H2,1-2H3,(H,28,30,34)
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n/an/an/an/a 5.01E+3n/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)

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


(Homo sapiens (Human))
BDBM385272
PNG
(US10287267, Compound 953)
Show SMILES C[C@@H]1COCCN1CC(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1
Show InChI InChI=1S/C19H21N5O2S/c1-12-11-26-6-5-24(12)10-18(25)21-17-8-16-7-14(3-4-15(16)9-20-17)19-23-22-13(2)27-19/h3-4,7-9,12H,5-6,10-11H2,1-2H3,(H,20,21,25)/t12-/m1/s1
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n/an/an/an/a 16.8n/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 US10287267 (2019)

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


(Homo sapiens (Human))
BDBM385274
PNG
(US10287267, Compound 960)
Show SMILES Cc1nnc(s1)-c1ccc2cnc(NC(=O)CN3C[C@H]4C[C@@H]3CO4)cc2c1
Show InChI InChI=1S/C19H19N5O2S/c1-11-22-23-19(27-11)12-2-3-13-7-20-17(5-14(13)4-12)21-18(25)9-24-8-16-6-15(24)10-26-16/h2-5,7,15-16H,6,8-10H2,1H3,(H,20,21,25)/t15-,16-/m1/s1
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n/an/an/an/a 17.1n/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)

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


(Homo sapiens (Human))
BDBM385276
PNG
(US10287267, Compound 963)
Show SMILES Cc1nnc(s1)-c1cc(F)c2cnc(NC(=O)CN3CCOCC3)cc2c1
Show InChI InChI=1S/C18H18FN5O2S/c1-11-22-23-18(27-11)13-6-12-8-16(20-9-14(12)15(19)7-13)21-17(25)10-24-2-4-26-5-3-24/h6-9H,2-5,10H2,1H3,(H,20,21,25)
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n/an/an/an/a 26.7n/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)

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


(Homo sapiens (Human))
BDBM385277
PNG
(US10287267, Compound 964)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(=O)(=O)c3ccccc3)cc2c1
Show InChI InChI=1S/C25H25N5O3S/c1-29-17-22(16-27-29)19-7-8-20-15-26-24(14-21(20)13-19)28-25(31)18-9-11-30(12-10-18)34(32,33)23-5-3-2-4-6-23/h2-8,13-18H,9-12H2,1H3,(H,26,28,31)
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n/an/an/an/a 5.20n/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)

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


(Homo sapiens (Human))
BDBM385279
PNG
(US10287267, Compound 966)
Show SMILES CN1CCC(CC1)C(=O)Nc1cc2cc(-c3cnn(C)c3)c(F)cc2cn1
Show InChI InChI=1S/C20H22FN5O/c1-25-5-3-13(4-6-25)20(27)24-19-9-14-7-17(16-11-23-26(2)12-16)18(21)8-15(14)10-22-19/h7-13H,3-6H2,1-2H3,(H,22,24,27)
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n/an/an/an/a 2n/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)

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


(Homo sapiens (Human))
BDBM385280
PNG
(US10287267, Compound 967)
Show SMILES CCN1CCC(CC1)C(=O)Nc1cc2cc(-c3cnn(C)c3)c(F)cc2cn1
Show InChI InChI=1S/C21H24FN5O/c1-3-27-6-4-14(5-7-27)21(28)25-20-10-15-8-18(17-12-24-26(2)13-17)19(22)9-16(15)11-23-20/h8-14H,3-7H2,1-2H3,(H,23,25,28)
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n/an/an/an/a 1.90n/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)

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


(Homo sapiens (Human))
BDBM385079
PNG
(US10287267, Compound 1086 | US10287267, Compound 1...)
Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C23H29N5O/c1-16(2)14-28-8-6-17(7-9-28)23(29)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,6-9,14H2,1-3H3,(H,24,26,29)
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n/an/an/an/a 3n/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)

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


(Homo sapiens (Human))
BDBM385287
PNG
(US10287267, Compound 974)
Show SMILES O=C(Nc1cc2cc(ccc2cn1)-c1cnco1)[C@H]1CCCO1
Show InChI InChI=1S/C17H15N3O3/c21-17(14-2-1-5-22-14)20-16-7-13-6-11(15-9-18-10-23-15)3-4-12(13)8-19-16/h3-4,6-10,14H,1-2,5H2,(H,19,20,21)/t14-/m1/s1
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n/an/an/an/a 13.5n/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)

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


(Homo sapiens (Human))
BDBM385295
PNG
(US10287267, Compound 982)
Show SMILES C[C@@H]1CCCN1CC(=O)Nc1cc2cc(ccc2cn1)-c1cnco1
Show InChI InChI=1S/C19H20N4O2/c1-13-3-2-6-23(13)11-19(24)22-18-8-16-7-14(17-10-20-12-25-17)4-5-15(16)9-21-18/h4-5,7-10,12-13H,2-3,6,11H2,1H3,(H,21,22,24)/t13-/m1/s1
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n/an/an/an/a 19.2n/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)

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


(Homo sapiens (Human))
BDBM385299
PNG
(US10287267, Compound 986)
Show SMILES FC1(F)CC(C1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12
Show InChI InChI=1S/C20H19F2N5O/c21-20(22)7-15(8-20)19(28)26-17-6-14-5-12(1-2-13(14)9-24-17)16-10-25-18-11-23-3-4-27(16)18/h1-2,5-6,9-10,15,23H,3-4,7-8,11H2,(H,24,26,28)
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n/an/an/an/a 11n/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)

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


(Homo sapiens (Human))
BDBM385302
PNG
(US10287267, Compound 989)
Show SMILES CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12
Show InChI InChI=1S/C22H26N6O/c1-27-7-4-15(5-8-27)22(29)26-20-11-18-10-16(2-3-17(18)12-24-20)19-13-25-21-14-23-6-9-28(19)21/h2-3,10-13,15,23H,4-9,14H2,1H3,(H,24,26,29)
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n/an/an/an/a 16.2n/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)

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


(Homo sapiens (Human))
BDBM385309
PNG
(US10287267, Compound 996)
Show SMILES Cc1ncc(s1)-c1ccc2cnc(NC(=O)CN3C[C@H]4C[C@@H]3CO4)cc2c1
Show InChI InChI=1S/C20H20N4O2S/c1-12-21-8-18(27-12)13-2-3-14-7-22-19(5-15(14)4-13)23-20(25)10-24-9-17-6-16(24)11-26-17/h2-5,7-8,16-17H,6,9-11H2,1H3,(H,22,23,25)/t16-,17-/m1/s1
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n/an/an/an/a 13.4n/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)

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


(Homo sapiens (Human))
BDBM385310
PNG
(US10287267, Compound 997)
Show SMILES FC(F)(F)C1(CN2CCC(CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnn3CCNCc23)CC1
Show InChI InChI=1S/C26H29F3N6O/c27-26(28,29)25(5-6-25)16-34-8-3-17(4-9-34)24(36)33-23-12-20-11-18(1-2-19(20)13-31-23)21-14-32-35-10-7-30-15-22(21)35/h1-2,11-14,17,30H,3-10,15-16H2,(H,31,33,36)
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n/an/an/an/a 186n/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)

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


(Homo sapiens (Human))
BDBM385315
PNG
(US10287267, Compound 1002)
Show SMILES CC(C)CN1CCCC(C1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn2CCN(CCF)Cc12
Show InChI InChI=1S/C27H35FN6O/c1-19(2)16-33-8-3-4-22(17-33)27(35)31-26-13-23-12-20(5-6-21(23)14-29-26)24-15-30-34-11-10-32(9-7-28)18-25(24)34/h5-6,12-15,19,22H,3-4,7-11,16-18H2,1-2H3,(H,29,31,35)
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n/an/an/an/a 28.5n/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)

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


(Homo sapiens (Human))
BDBM385322
PNG
(US10287267, Compound 1009)
Show SMILES CC(C)OCCC(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C
Show InChI InChI=1S/C19H22N4O2/c1-13(2)25-7-6-19(24)22-18-9-16-8-14(4-5-15(16)10-21-18)17-11-20-12-23(17)3/h4-5,8-13H,6-7H2,1-3H3,(H,21,22,24)
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n/an/an/an/a 6.20n/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)

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


(Homo sapiens (Human))
BDBM385329
PNG
(US10287267, Compound 1016)
Show SMILES Cn1cc(cn1)-c1cc(F)c2cnc(NC(=O)CN3CCCCC3)cc2c1
Show InChI InChI=1S/C20H22FN5O/c1-25-12-16(10-23-25)14-7-15-9-19(22-11-17(15)18(21)8-14)24-20(27)13-26-5-3-2-4-6-26/h7-12H,2-6,13H2,1H3,(H,22,24,27)
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n/an/an/an/a 29.1n/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)

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


(Homo sapiens (Human))
BDBM385337
PNG
(US10287267, Compound 1024)
Show SMILES CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn3CCN(CCF)Cc23)CC1
Show InChI InChI=1S/C24H30FN7O/c1-29-6-8-31(9-7-29)17-24(33)28-23-13-20-12-18(2-3-19(20)14-26-23)21-15-27-32-11-10-30(5-4-25)16-22(21)32/h2-3,12-15H,4-11,16-17H2,1H3,(H,26,28,33)
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n/an/an/an/a 17n/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)

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


(Homo sapiens (Human))
BDBM385341
PNG
(US10287267, Compound 1028)
Show SMILES Cc1ncc(o1)-c1ccc2cnc(NC(=O)CN3CCCCC3)cc2c1
Show InChI InChI=1S/C20H22N4O2/c1-14-21-12-18(26-14)15-5-6-16-11-22-19(10-17(16)9-15)23-20(25)13-24-7-3-2-4-8-24/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,22,23,25)
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n/an/an/an/a 22.5n/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)

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


(Homo sapiens (Human))
BDBM385351
PNG
(US10287267, Compound 1047)
Show SMILES CCN(CC)c1ncc(s1)-c1ccc2cnc(NC(=O)CN3CCC(F)CC3)cc2c1
Show InChI InChI=1S/C23H28FN5OS/c1-3-29(4-2)23-26-14-20(31-23)16-5-6-17-13-25-21(12-18(17)11-16)27-22(30)15-28-9-7-19(24)8-10-28/h5-6,11-14,19H,3-4,7-10,15H2,1-2H3,(H,25,27,30)
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n/an/an/an/a 463n/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)

More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385089
PNG
(US10287267, Compound 90)
Show SMILES CC(C)OCCN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C24H31N5O2/c1-17(2)31-11-10-29-8-6-18(7-9-29)24(30)27-23-13-21-12-19(4-5-20(21)14-25-23)22-15-26-28(3)16-22/h4-5,12-18H,6-11H2,1-3H3,(H,25,27,30)
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n/an/an/an/a 1.10E+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)

More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385090
PNG
(US10287267, Compound 91)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3(F)CCNCC3)cc2c1
Show InChI InChI=1S/C19H20FN5O/c1-25-12-16(11-23-25)13-2-3-14-10-22-17(9-15(14)8-13)24-18(26)19(20)4-6-21-7-5-19/h2-3,8-12,21H,4-7H2,1H3,(H,22,24,26)
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n/an/an/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385102
PNG
(US10287267, Compound 120)
Show SMILES Cc1ncc(-c2ccc3cnc(NC(=O)C4CCCCC4)cc3c2)n1C
Show InChI InChI=1S/C21H24N4O/c1-14-22-13-19(25(14)2)16-8-9-17-12-23-20(11-18(17)10-16)24-21(26)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,23,24,26)
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n/an/an/an/a 2.21E+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)

More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385118
PNG
(US10287267, Compound 274)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CC[C@@H](F)C3)cc2c1
Show InChI InChI=1S/C19H20FN5O/c1-24-10-16(9-22-24)13-2-3-14-8-21-18(7-15(14)6-13)23-19(26)12-25-5-4-17(20)11-25/h2-3,6-10,17H,4-5,11-12H2,1H3,(H,21,23,26)/t17-/m1/s1
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n/an/an/an/a 3.72E+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)

More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385120
PNG
(US10287267, Compound 276)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)CN3CCCCC3)cc2c1
Show InChI InChI=1S/C19H22N6O/c1-24-12-17(22-23-24)14-5-6-15-11-20-18(10-16(15)9-14)21-19(26)13-25-7-3-2-4-8-25/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,20,21,26)
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n/an/an/an/a 5.18E+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)

More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385125
PNG
(US10287267, Compound 281)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1
Show InChI InChI=1S/C22H27FN6O/c1-15(2)13-29-8-6-22(23,7-9-29)21(30)25-20-11-18-10-16(4-5-17(18)12-24-20)19-14-28(3)27-26-19/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,24,25,30)
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n/an/an/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385153
PNG
(US10287267, Compound 309)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)o1
Show InChI InChI=1S/C22H26FN5O2/c1-14(2)13-28-8-6-22(23,7-9-28)21(29)25-19-11-18-10-16(4-5-17(18)12-24-19)20-27-26-15(3)30-20/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,24,25,29)
UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385128
PNG
(US10287267, Compound 284 | US10287267, Compound 30...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1
Show InChI InChI=1S/C19H21N5O/c1-23-12-17(11-21-23)14-4-5-15-10-20-18(9-16(15)8-14)22-19(25)13-24-6-2-3-7-24/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,20,22,25)
UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 1.59E+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)

More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385163
PNG
(US10287267, Compound 320)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CCCN3)cc2c1
Show InChI InChI=1S/C18H19N5O/c1-23-11-15(10-21-23)12-4-5-13-9-20-17(8-14(13)7-12)22-18(24)16-3-2-6-19-16/h4-5,7-11,16,19H,2-3,6H2,1H3,(H,20,22,24)/t16-/m1/s1
UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/an/an/a 1.14E+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)

More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385167
PNG
(US10287267, Compound 327)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
UniProtKB/SwissProt

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US Patent
n/an/an/an/a 258n/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)

More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385190
PNG
(US10287267, Compound 352)
Show SMILES CC(C)N1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C22H28N6O/c1-16(2)28-8-6-27(7-9-28)15-22(29)25-21-11-19-10-17(4-5-18(19)12-23-21)20-13-24-26(3)14-20/h4-5,10-14,16H,6-9,15H2,1-3H3,(H,23,25,29)
UniProtKB/SwissProt

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US Patent
n/an/an/an/a 2.96E+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)

More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385196
PNG
(US10287267, Compound 360)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(Cc4ncco4)CC3)cc2c1
Show InChI InChI=1S/C23H24N6O2/c1-28-14-20(13-26-28)17-2-3-18-12-25-21(11-19(18)10-17)27-23(30)16-4-7-29(8-5-16)15-22-24-6-9-31-22/h2-3,6,9-14,16H,4-5,7-8,15H2,1H3,(H,25,27,30)
UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/an/an/a 690n/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)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%