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Patent code US10669240

Compile Data Set for Download or QSAR

Found 500 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM445829
PNG
(US10669240, Compound 1141)
Show SMILES CC1CN(CC(C)O1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1
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n/an/a 3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445759
PNG
(US10669240, Compound 55)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCC(F)(F)C3)c2)cn1
Show InChI InChI=1S/C28H30F2N8O/c1-36-8-10-38(11-9-36)25-5-3-22(16-32-25)33-27(39)26-23-13-20(2-4-24(23)34-35-26)21-12-19(14-31-15-21)17-37-7-6-28(29,30)18-37/h2-5,12-16H,6-11,17-18H2,1H3,(H,33,39)(H,34,35)
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Samumed, LLC

US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445758
PNG
(US10669240, Compound 54)
Show SMILES COc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCC(F)(F)C3)c2)cn1
Show InChI InChI=1S/C24H22F2N6O2/c1-34-21-5-3-18(12-28-21)29-23(33)22-19-9-16(2-4-20(19)30-31-22)17-8-15(10-27-11-17)13-32-7-6-24(25,26)14-32/h2-5,8-12H,6-7,13-14H2,1H3,(H,29,33)(H,30,31)
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US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445786
PNG
(US10669240, Compound 82)
Show SMILES CC1CCN(Cc2cncc(c2)-c2ccc3[nH]nc(C(=O)Nc4cccnc4)c3c2)CC1
Show InChI InChI=1S/C25H26N6O/c1-17-6-9-31(10-7-17)16-18-11-20(14-27-13-18)19-4-5-23-22(12-19)24(30-29-23)25(32)28-21-3-2-8-26-15-21/h2-5,8,11-15,17H,6-7,9-10,16H2,1H3,(H,28,32)(H,29,30)
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US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445831
PNG
(US10669240, Compound 1153)
Show SMILES Fc1cc2[nH]nc(C(=O)Nc3cccnc3)c2cc1-c1cncc(CN2CCCCC2)c1
Show InChI InChI=1S/C24H23FN6O/c25-21-11-22-20(23(30-29-22)24(32)28-18-5-4-6-26-14-18)10-19(21)17-9-16(12-27-13-17)15-31-7-2-1-3-8-31/h4-6,9-14H,1-3,7-8,15H2,(H,28,32)(H,29,30)
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Samumed, LLC

US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445747
PNG
(US10669240, Compound 43)
Show SMILES O=C(Nc1cccc2cccnc12)c1n[nH]c2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C22H15N5O/c28-22(25-19-7-1-4-14-5-3-11-24-20(14)19)21-17-12-15(8-9-18(17)26-27-21)16-6-2-10-23-13-16/h1-13H,(H,25,28)(H,26,27)
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Samumed, LLC

US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445775
PNG
(US10669240, Compound 71)
Show SMILES FC1(F)CN(C1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1
Show InChI InChI=1S/C27H27F2N7O/c28-27(29)16-36(17-27)24-7-5-21(14-31-24)32-26(37)25-22-11-19(4-6-23(22)33-34-25)20-10-18(12-30-13-20)15-35-8-2-1-3-9-35/h4-7,10-14H,1-3,8-9,15-17H2,(H,32,37)(H,33,34)
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Samumed, LLC

US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445777
PNG
(US10669240, Compound 73)
Show SMILES CC(C)CC(=O)Nc1ccncc1NC(=O)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCCCC2)c1
Show InChI InChI=1S/C29H33N7O2/c1-19(2)12-27(37)32-25-8-9-30-17-26(25)33-29(38)28-23-14-21(6-7-24(23)34-35-28)22-13-20(15-31-16-22)18-36-10-4-3-5-11-36/h6-9,13-17,19H,3-5,10-12,18H2,1-2H3,(H,33,38)(H,34,35)(H,30,32,37)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445782
PNG
(US10669240, Compound 78)
Show SMILES COc1cc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)ccn1
Show InChI InChI=1S/C25H26N6O2/c1-33-23-13-20(7-8-27-23)28-25(32)24-21-12-18(5-6-22(21)29-30-24)19-11-17(14-26-15-19)16-31-9-3-2-4-10-31/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,29,30)(H,27,28,32)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445802
PNG
(US10669240, Compound 98)
Show SMILES Cc1ncc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1
Show InChI InChI=1S/C24H25N7O/c1-16-26-13-20(14-27-16)28-24(32)23-21-10-18(5-6-22(21)29-30-23)19-9-17(11-25-12-19)15-31-7-3-2-4-8-31/h5-6,9-14H,2-4,7-8,15H2,1H3,(H,28,32)(H,29,30)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445749
PNG
(US10669240, Compound 45)
Show SMILES FC(F)(F)c1cc(NC(=O)c2n[nH]c3ccc(cc23)-c2cccnc2)ccn1
Show InChI InChI=1S/C19H12F3N5O/c20-19(21,22)16-9-13(5-7-24-16)25-18(28)17-14-8-11(3-4-15(14)26-27-17)12-2-1-6-23-10-12/h1-10H,(H,26,27)(H,24,25,28)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445752
PNG
(US10669240, Compound 48)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(NC(=O)c3cc(F)ccc3F)c2)cn1
Show InChI InChI=1S/C30H26F2N8O2/c1-39-8-10-40(11-9-39)27-7-4-21(17-34-27)35-30(42)28-24-13-18(2-6-26(24)37-38-28)19-12-22(16-33-15-19)36-29(41)23-14-20(31)3-5-25(23)32/h2-7,12-17H,8-11H2,1H3,(H,35,42)(H,36,41)(H,37,38)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445767
PNG
(US10669240, Compound 63)
Show SMILES O=C(Nc1cccnc1)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCCCC2)c1
Show InChI InChI=1S/C24H24N6O/c31-24(27-20-5-4-8-25-15-20)23-21-12-18(6-7-22(21)28-29-23)19-11-17(13-26-14-19)16-30-9-2-1-3-10-30/h4-8,11-15H,1-3,9-10,16H2,(H,27,31)(H,28,29)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445784
PNG
(US10669240, Compound 80)
Show SMILES FC(F)(F)c1cc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)ccn1
Show InChI InChI=1S/C25H23F3N6O/c26-25(27,28)22-12-19(6-7-30-22)31-24(35)23-20-11-17(4-5-21(20)32-33-23)18-10-16(13-29-14-18)15-34-8-2-1-3-9-34/h4-7,10-14H,1-3,8-9,15H2,(H,32,33)(H,30,31,35)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445771
PNG
(US10669240, Compound 67)
Show SMILES CC(C)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1
Show InChI InChI=1S/C27H30N6O2/c1-18(2)35-25-9-7-22(16-29-25)30-27(34)26-23-13-20(6-8-24(23)31-32-26)21-12-19(14-28-15-21)17-33-10-4-3-5-11-33/h6-9,12-16,18H,3-5,10-11,17H2,1-2H3,(H,30,34)(H,31,32)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445809
PNG
(US10669240, Compound 129)
Show SMILES CC(C)NC(=O)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCCC2)c1
Show InChI InChI=1S/C21H25N5O/c1-14(2)23-21(27)20-18-10-16(5-6-19(18)24-25-20)17-9-15(11-22-12-17)13-26-7-3-4-8-26/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,23,27)(H,24,25)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445772
PNG
(US10669240, Compound 68 | US10669240, Compound 69)
Show SMILES COc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1
Show InChI InChI=1S/C25H26N6O2/c1-33-23-8-6-20(15-27-23)28-25(32)24-21-12-18(5-7-22(21)29-30-24)19-11-17(13-26-14-19)16-31-9-3-2-4-10-31/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445811
PNG
(US10669240, Compound 132)
Show SMILES CC(C)NC(=O)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCC(F)(F)CC2)c1
Show InChI InChI=1S/C22H25F2N5O/c1-14(2)26-21(30)20-18-10-16(3-4-19(18)27-28-20)17-9-15(11-25-12-17)13-29-7-5-22(23,24)6-8-29/h3-4,9-12,14H,5-8,13H2,1-2H3,(H,26,30)(H,27,28)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445757
PNG
(US10669240, Compound 53)
Show SMILES COc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCC3)c2)cn1
Show InChI InChI=1S/C24H24N6O2/c1-32-22-7-5-19(14-26-22)27-24(31)23-20-11-17(4-6-21(20)28-29-23)18-10-16(12-25-13-18)15-30-8-2-3-9-30/h4-7,10-14H,2-3,8-9,15H2,1H3,(H,27,31)(H,28,29)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

More data for this
Ligand-Target Pair
Pulmonary surfactant-associated protein A1


(Human)
BDBM445758
PNG
(US10669240, Compound 54)
Show SMILES COc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCC(F)(F)C3)c2)cn1
Show InChI InChI=1S/C24H22F2N6O2/c1-34-21-5-3-18(12-28-21)29-23(33)22-19-9-16(2-4-20(19)30-31-22)17-8-15(10-27-11-17)13-32-7-6-24(25,26)14-32/h2-5,8-12H,6-7,13-14H2,1H3,(H,29,33)(H,30,31)
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Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 8-point dose-response curves f...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445769
PNG
(US10669240, Compound 65)
Show SMILES Cc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1
Show InChI InChI=1S/C25H26N6O/c1-17-5-7-21(15-27-17)28-25(32)24-22-12-19(6-8-23(22)29-30-24)20-11-18(13-26-14-20)16-31-9-3-2-4-10-31/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30)
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US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445772
PNG
(US10669240, Compound 68 | US10669240, Compound 69)
Show SMILES COc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1
Show InChI InChI=1S/C25H26N6O2/c1-33-23-8-6-20(15-27-23)28-25(32)24-21-12-18(5-7-22(21)29-30-24)19-11-17(13-26-14-19)16-31-9-3-2-4-10-31/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30)
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US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445817
PNG
(US10669240, Compound 200)
Show SMILES O=C(NC1CCCCC1)c1n[nH]c2ccc(cc12)-c1cncc(c1)N1CCCC1
Show InChI InChI=1S/C23H27N5O/c29-23(25-18-6-2-1-3-7-18)22-20-13-16(8-9-21(20)26-27-22)17-12-19(15-24-14-17)28-10-4-5-11-28/h8-9,12-15,18H,1-7,10-11H2,(H,25,29)(H,26,27)
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Samumed, LLC

US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445768
PNG
(US10669240, Compound 64)
Show SMILES Cc1cncc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)c1
Show InChI InChI=1S/C25H26N6O/c1-17-9-21(15-26-12-17)28-25(32)24-22-11-19(5-6-23(22)29-30-24)20-10-18(13-27-14-20)16-31-7-3-2-4-8-31/h5-6,9-15H,2-4,7-8,16H2,1H3,(H,28,32)(H,29,30)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445789
PNG
(US10669240, Compound 85)
Show SMILES CC(C)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CC4CC(C3)O4)c2)cn1
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Samumed, LLC

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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445871
PNG
(US10669240, Compound 1269)
Show SMILES O=C(NC1CC1)c1n[nH]c2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C15H13N5O/c21-15(18-11-2-3-11)14-12-5-9(1-4-13(12)19-20-14)10-6-16-8-17-7-10/h1,4-8,11H,2-3H2,(H,18,21)(H,19,20)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445803
PNG
(US10669240, Compound 99)
Show SMILES Fc1cc2[nH]nc(C(=O)Nc3cccnc3)c2cc1-c1cccnc1
Show InChI InChI=1S/C18H12FN5O/c19-15-8-16-14(7-13(15)11-3-1-5-20-9-11)17(24-23-16)18(25)22-12-4-2-6-21-10-12/h1-10H,(H,22,25)(H,23,24)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445788
PNG
(US10669240, Compound 84)
Show SMILES O=C(Nc1cccnc1)c1n[nH]c2ccc(cc12)-c1cncc(CN2CC3CC(C2)O3)c1
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

More data for this
Ligand-Target Pair
Pulmonary surfactant-associated protein A1


(Human)
BDBM445752
PNG
(US10669240, Compound 48)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(NC(=O)c3cc(F)ccc3F)c2)cn1
Show InChI InChI=1S/C30H26F2N8O2/c1-39-8-10-40(11-9-39)27-7-4-21(17-34-27)35-30(42)28-24-13-18(2-6-26(24)37-38-28)19-12-22(16-33-15-19)36-29(41)23-14-20(31)3-5-25(23)32/h2-7,12-17H,8-11H2,1H3,(H,35,42)(H,36,41)(H,37,38)
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Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 8-point dose-response curves f...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445794
PNG
(US10669240, Compound 90)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C21H25N5O/c1-14(2)26-10-7-17(8-11-26)23-21(27)20-18-12-15(5-6-19(18)24-25-20)16-4-3-9-22-13-16/h3-6,9,12-14,17H,7-8,10-11H2,1-2H3,(H,23,27)(H,24,25)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

More data for this
Ligand-Target Pair
Pulmonary surfactant-associated protein A1


(Human)
BDBM445795
PNG
(US10669240, Compound 91)
Show SMILES CC(C)CN1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C22H27N5O/c1-15(2)14-27-10-7-18(8-11-27)24-22(28)21-19-12-16(5-6-20(19)25-26-21)17-4-3-9-23-13-17/h3-6,9,12-13,15,18H,7-8,10-11,14H2,1-2H3,(H,24,28)(H,25,26)
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Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 8-point dose-response curves f...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445807
PNG
(US10669240, Compound 103)
Show SMILES O=C(Nc1ccnc(c1)N1CCCCC1)c1n[nH]c2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C23H22N6O/c30-23(26-18-8-10-25-21(14-18)29-11-2-1-3-12-29)22-19-13-16(6-7-20(19)27-28-22)17-5-4-9-24-15-17/h4-10,13-15H,1-3,11-12H2,(H,27,28)(H,25,26,30)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445795
PNG
(US10669240, Compound 91)
Show SMILES CC(C)CN1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C22H27N5O/c1-15(2)14-27-10-7-18(8-11-27)24-22(28)21-19-12-16(5-6-20(19)25-26-21)17-4-3-9-23-13-17/h3-6,9,12-13,15,18H,7-8,10-11,14H2,1-2H3,(H,24,28)(H,25,26)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445825
PNG
(US10669240, Compound 367)
Show SMILES Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NC3CCN(CC#C)CC3)c2c1
Show InChI InChI=1S/C22H20F2N4O/c1-2-10-28-11-8-15(9-12-28)25-22(29)21-17-13-14(6-7-19(17)26-27-21)16-4-3-5-18(23)20(16)24/h1,3-7,13,15H,8-12H2,(H,25,29)(H,26,27)
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Samumed, LLC

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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445944
PNG
(US10669240, Compound 1343)
Show SMILES Fc1cc2[nH]nc(C(=O)Nc3ccccn3)c2cc1-c1cncc(CN2CCCCC2)c1
Show InChI InChI=1S/C24H23FN6O/c25-20-12-21-19(23(30-29-21)24(32)28-22-6-2-3-7-27-22)11-18(20)17-10-16(13-26-14-17)15-31-8-4-1-5-9-31/h2-3,6-7,10-14H,1,4-5,8-9,15H2,(H,29,30)(H,27,28,32)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

More data for this
Ligand-Target Pair
Pulmonary surfactant-associated protein A1


(Human)
BDBM445775
PNG
(US10669240, Compound 71)
Show SMILES FC1(F)CN(C1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1
Show InChI InChI=1S/C27H27F2N7O/c28-27(29)16-36(17-27)24-7-5-21(14-31-24)32-26(37)25-22-11-19(4-6-23(22)33-34-25)20-10-18(12-30-13-20)15-35-8-2-1-3-9-35/h4-7,10-14H,1-3,8-9,15-17H2,(H,32,37)(H,33,34)
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Samumed, LLC

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Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 8-point dose-response curves f...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445801
PNG
(US10669240, Compound 97)
Show SMILES Cc1ncc(NC(=O)c2n[nH]c3ccc(cc23)-c2cccnc2)cn1
Show InChI InChI=1S/C18H14N6O/c1-11-20-9-14(10-21-11)22-18(25)17-15-7-12(4-5-16(15)23-24-17)13-3-2-6-19-8-13/h2-10H,1H3,(H,22,25)(H,23,24)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445907
PNG
(US10669240, Compound 1305)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cncc(Cl)c1
Show InChI InChI=1S/C21H24ClN5O/c1-13(2)27-7-5-17(6-8-27)24-21(28)20-18-10-14(3-4-19(18)25-26-20)15-9-16(22)12-23-11-15/h3-4,9-13,17H,5-8H2,1-2H3,(H,24,28)(H,25,26)
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Samumed, LLC

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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445778
PNG
(US10669240, Compound 74)
Show SMILES O=C(Nc1ccncc1NC(=O)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCCCC2)c1)C1CC1
Show InChI InChI=1S/C28H29N7O2/c36-27(19-4-5-19)31-24-8-9-29-16-25(24)32-28(37)26-22-13-20(6-7-23(22)33-34-26)21-12-18(14-30-15-21)17-35-10-2-1-3-11-35/h6-9,12-16,19H,1-5,10-11,17H2,(H,32,37)(H,33,34)(H,29,31,36)
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US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445756
PNG
(US10669240, Compound 52)
Show SMILES O=C(Nc1ccc(nc1)N1CCCC1)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCCC2)c1
Show InChI InChI=1S/C27H29N7O/c35-27(30-22-6-8-25(29-17-22)34-11-3-4-12-34)26-23-14-20(5-7-24(23)31-32-26)21-13-19(15-28-16-21)18-33-9-1-2-10-33/h5-8,13-17H,1-4,9-12,18H2,(H,30,35)(H,31,32)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

More data for this
Ligand-Target Pair
Pulmonary surfactant-associated protein A1


(Human)
BDBM445786
PNG
(US10669240, Compound 82)
Show SMILES CC1CCN(Cc2cncc(c2)-c2ccc3[nH]nc(C(=O)Nc4cccnc4)c3c2)CC1
Show InChI InChI=1S/C25H26N6O/c1-17-6-9-31(10-7-17)16-18-11-20(14-27-13-18)19-4-5-23-22(12-19)24(30-29-23)25(32)28-21-3-2-8-26-15-21/h2-5,8,11-15,17H,6-7,9-10,16H2,1H3,(H,28,32)(H,29,30)
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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, 8-point dose-response curves f...


US Patent US10669240 (2020)

More data for this
Ligand-Target Pair
Pulmonary surfactant-associated protein A1


(Human)
BDBM445788
PNG
(US10669240, Compound 84)
Show SMILES O=C(Nc1cccnc1)c1n[nH]c2ccc(cc12)-c1cncc(CN2CC3CC(C2)O3)c1
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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, 8-point dose-response curves f...


US Patent US10669240 (2020)

More data for this
Ligand-Target Pair
Pulmonary surfactant-associated protein A1


(Human)
BDBM445801
PNG
(US10669240, Compound 97)
Show SMILES Cc1ncc(NC(=O)c2n[nH]c3ccc(cc23)-c2cccnc2)cn1
Show InChI InChI=1S/C18H14N6O/c1-11-20-9-14(10-21-11)22-18(25)17-15-7-12(4-5-16(15)23-24-17)13-3-2-6-19-8-13/h2-10H,1H3,(H,22,25)(H,23,24)
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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, 8-point dose-response curves f...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445729
PNG
(US10669240, Compound 25)
Show SMILES O=C(NC1Cc2ccccc2C1)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCCC2)c1
Show InChI InChI=1S/C27H27N5O/c33-27(29-23-12-19-5-1-2-6-20(19)13-23)26-24-14-21(7-8-25(24)30-31-26)22-11-18(15-28-16-22)17-32-9-3-4-10-32/h1-2,5-8,11,14-16,23H,3-4,9-10,12-13,17H2,(H,29,33)(H,30,31)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445830
PNG
(US10669240, Compound 1152)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1n[nH]c2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C25H25N5O/c31-25(27-21-10-13-30(14-11-21)17-18-5-2-1-3-6-18)24-22-15-19(8-9-23(22)28-29-24)20-7-4-12-26-16-20/h1-9,12,15-16,21H,10-11,13-14,17H2,(H,27,31)(H,28,29)
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Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

More data for this
Ligand-Target Pair
Pulmonary surfactant-associated protein A1


(Human)
BDBM445759
PNG
(US10669240, Compound 55)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCC(F)(F)C3)c2)cn1
Show InChI InChI=1S/C28H30F2N8O/c1-36-8-10-38(11-9-36)25-5-3-22(16-32-25)33-27(39)26-23-13-20(2-4-24(23)34-35-26)21-12-19(14-31-15-21)17-37-7-6-28(29,30)18-37/h2-5,12-16H,6-11,17-18H2,1H3,(H,33,39)(H,34,35)
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Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 8-point dose-response curves f...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445805
PNG
(US10669240, Compound 101)
Show SMILES O=C(Nc1ccnc(c1)N1CCCCC1)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCCCC2)c1
Show InChI InChI=1S/C29H33N7O/c37-29(32-24-9-10-31-27(17-24)36-13-5-2-6-14-36)28-25-16-22(7-8-26(25)33-34-28)23-15-21(18-30-19-23)20-35-11-3-1-4-12-35/h7-10,15-19H,1-6,11-14,20H2,(H,33,34)(H,31,32,37)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 152n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445946
PNG
(US10669240, Compound 1345)
Show SMILES Fc1cc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2cc1-c1cccnc1
Show InChI InChI=1S/C24H22FN5O/c25-21-13-22-20(12-19(21)17-4-3-9-26-14-17)23(29-28-22)24(31)27-18-7-5-16(6-8-18)15-30-10-1-2-11-30/h3-9,12-14H,1-2,10-11,15H2,(H,27,31)(H,28,29)
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PC sid
UniChem
US Patent
n/an/a 159n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

More data for this
Ligand-Target Pair
Pulmonary surfactant-associated protein A1


(Human)
BDBM445794
PNG
(US10669240, Compound 90)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C21H25N5O/c1-14(2)26-10-7-17(8-11-26)23-21(27)20-18-12-15(5-6-19(18)24-25-20)16-4-3-9-22-13-16/h3-6,9,12-14,17H,7-8,10-11H2,1-2H3,(H,23,27)(H,24,25)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 163n/an/an/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, 8-point dose-response curves f...


US Patent US10669240 (2020)

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


(Homo sapiens (human))
BDBM445833
PNG
(US10669240, Compound 1161)
Show SMILES FC(F)CN1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cccc(F)c1F
Show InChI InChI=1S/C21H20F4N4O/c22-16-3-1-2-14(19(16)25)12-4-5-17-15(10-12)20(28-27-17)21(30)26-13-6-8-29(9-7-13)11-18(23)24/h1-5,10,13,18H,6-9,11H2,(H,26,30)(H,27,28)
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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 163n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)

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