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Patent code US10071086

Compile Data Set for Download or QSAR
Found 115 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
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM273137
PNG
(US10071086, Compound 443)
Show SMILES c1csc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C21H11N7S/c1-3-12(8-22-5-1)13-7-14-19(27-28-20(14)24-9-13)21-25-16-11-23-10-15(18(16)26-21)17-4-2-6-29-17/h1-11H/b21-19+
PDB

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n/an/a 1n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM269261
PNG
(US10071086, Compound 9)
Show SMILES CC(C)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C26H19FN8/c1-14(2)31-19-7-16(9-28-11-19)17-8-20-24(34-35-25(20)30-10-17)26-32-22-13-29-12-21(23(22)33-26)15-4-3-5-18(27)6-15/h3-14,31H,1-2H3/b26-24+
PDB

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n/an/a 1.20n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM271118
PNG
(US10071086, Compound 382)
Show SMILES CCCC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccoc3)c2c1
Show InChI InChI=1S/C25H18N8O2/c1-2-3-21(34)29-17-6-15(8-26-10-17)16-7-18-23(32-33-24(18)28-9-16)25-30-20-12-27-11-19(22(20)31-25)14-4-5-35-13-14/h4-13H,2-3H2,1H3,(H,29,34)/b25-23+
PDB

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n/an/a 3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM269257
PNG
(US10071086, Compound 5)
Show SMILES Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C23H13FN8/c24-15-3-1-2-12(4-15)18-10-27-11-19-20(18)30-23(29-19)21-17-6-14(8-28-22(17)32-31-21)13-5-16(25)9-26-7-13/h1-11H,25H2/b23-21+
PDB

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n/an/a 3.90n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM271120
PNG
(US10071086, Compound 440)
Show SMILES CCC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccs3)c2c1
Show InChI InChI=1S/C24H16N8OS/c1-2-20(33)28-15-6-13(8-25-10-15)14-7-16-22(31-32-23(16)27-9-14)24-29-18-12-26-11-17(21(18)30-24)19-4-3-5-34-19/h3-12H,2H2,1H3,(H,28,33)/b24-22+
PDB

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n/an/a 4n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM269254
PNG
(US10071086, Compound 1)
Show SMILES Fc1cccc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(NC(=O)C(F)(F)F)c1
Show InChI InChI=1S/C25H12F4N8O/c26-15-3-1-2-12(4-15)18-10-31-11-19-20(18)35-23(34-19)21-17-6-14(8-32-22(17)37-36-21)13-5-16(9-30-7-13)33-24(38)25(27,28)29/h1-11H,(H,33,38)/b23-21+
PDB

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n/an/a 6n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM269259
PNG
(US10071086, Compound 7)
Show SMILES CN(C)c1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C25H17FN8/c1-34(2)18-7-15(9-27-11-18)16-8-19-23(32-33-24(19)29-10-16)25-30-21-13-28-12-20(22(21)31-25)14-4-3-5-17(26)6-14/h3-13H,1-2H3/b25-23+
PDB

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n/an/a 6n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM269255
PNG
(US10071086, Compound 2)
Show SMILES CC(C)(C)C(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C28H21FN8O/c1-28(2,3)27(38)33-19-8-16(10-30-12-19)17-9-20-24(36-37-25(20)32-11-17)26-34-22-14-31-13-21(23(22)35-26)15-5-4-6-18(29)7-15/h4-14H,1-3H3,(H,33,38)/b26-24+
PDB

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n/an/a 6n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270609
PNG
(US10071086, Compound 158)
Show SMILES CCCC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccccc3F)c2c1
Show InChI InChI=1S/C27H19FN8O/c1-2-5-23(37)32-17-8-15(10-29-12-17)16-9-19-25(35-36-26(19)31-11-16)27-33-22-14-30-13-20(24(22)34-27)18-6-3-4-7-21(18)28/h3-4,6-14H,2,5H2,1H3,(H,32,37)/b27-25+
PDB

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n/an/a 8n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275757
PNG
(US10071086, Compound 785)
Show SMILES CCC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccsc3)c2c1
Show InChI InChI=1S/C25H17N7OS/c1-2-21(33)28-17-8-15(10-26-12-17)16-9-19-23(31-32-24(19)27-11-16)25-29-20-5-3-4-18(22(20)30-25)14-6-7-34-13-14/h3-13H,2H2,1H3,(H,28,33)/b25-23+
PDB

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n/an/a 10n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270606
PNG
(US10071086, Compound 114)
Show SMILES Fc1cccc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C27H17FN8O/c28-18-3-1-2-15(6-18)21-12-30-13-22-23(21)34-26(33-22)24-20-8-17(10-31-25(20)36-35-24)16-7-19(11-29-9-16)32-27(37)14-4-5-14/h1-3,6-14H,4-5H2,(H,32,37)/b26-24+
PDB

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n/an/a 11n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270617
PNG
(US10071086, Compound 229)
Show SMILES O=C(Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccccn3)c2c1)C1CCC1
Show InChI InChI=1S/C27H19N9O/c37-27(15-4-3-5-15)32-18-8-16(10-28-12-18)17-9-19-24(35-36-25(19)31-11-17)26-33-22-14-29-13-20(23(22)34-26)21-6-1-2-7-30-21/h1-2,6-15H,3-5H2,(H,32,37)/b26-24+
PDB

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n/an/a 12n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275764
PNG
(US10071086, Compound 888)
Show SMILES c1csc(c1)-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C22H12N6S/c1-5-15(18-7-3-9-29-18)19-17(6-1)25-22(26-19)20-16-10-14(12-24-21(16)28-27-20)13-4-2-8-23-11-13/h1-12H/b22-20+
PDB

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n/an/a 12n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270451
PNG
(US10071086, Compound 18)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C26H19FN8/c1-35(2)14-15-6-17(10-28-9-15)18-8-20-24(33-34-25(20)30-11-18)26-31-22-13-29-12-21(23(22)32-26)16-4-3-5-19(27)7-16/h3-13H,14H2,1-2H3/b26-24+
PDB

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n/an/a 13n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275758
PNG
(US10071086, Compound 793)
Show SMILES CC(C)C(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccsc3)c2c1
Show InChI InChI=1S/C26H19N7OS/c1-14(2)26(34)29-18-8-16(10-27-12-18)17-9-20-23(32-33-24(20)28-11-17)25-30-21-5-3-4-19(22(21)31-25)15-6-7-35-13-15/h3-14H,1-2H3,(H,29,34)/b25-23+
PDB

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n/an/a 16n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275761
PNG
(US10071086, Compound 803)
Show SMILES O=C(Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccsc3)c2c1)C1CC1
Show InChI InChI=1S/C26H17N7OS/c34-26(14-4-5-14)29-18-8-16(10-27-12-18)17-9-20-23(32-33-24(20)28-11-17)25-30-21-3-1-2-19(22(21)31-25)15-6-7-35-13-15/h1-3,6-14H,4-5H2,(H,29,34)/b25-23+
PDB

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n/an/a 17n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275735
PNG
(US10071086, Compound 605)
Show SMILES Fc1ccccc1-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(NC(=O)C2CCC2)c1
Show InChI InChI=1S/C29H20FN7O/c30-23-9-2-1-7-20(23)21-8-4-10-24-25(21)35-28(34-24)26-22-12-18(14-32-27(22)37-36-26)17-11-19(15-31-13-17)33-29(38)16-5-3-6-16/h1-2,4,7-16H,3,5-6H2,(H,33,38)/b28-26+
PDB

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n/an/a 18n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275734
PNG
(US10071086, Compound 602)
Show SMILES CCCC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccccc3F)c2c1
Show InChI InChI=1S/C28H20FN7O/c1-2-6-24(37)32-18-11-16(13-30-15-18)17-12-21-26(35-36-27(21)31-14-17)28-33-23-10-5-8-20(25(23)34-28)19-7-3-4-9-22(19)29/h3-5,7-15H,2,6H2,1H3,(H,32,37)/b28-26+
PDB

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n/an/a 18n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275730
PNG
(US10071086, Compound 590)
Show SMILES Fc1ccccc1-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C24H13FN6/c25-19-8-2-1-6-16(19)17-7-3-9-20-21(17)29-24(28-20)22-18-11-15(13-27-23(18)31-30-22)14-5-4-10-26-12-14/h1-13H/b24-22+
PDB

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n/an/a 20n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270480
PNG
(US10071086, Compound 24)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cc(F)cc(c3)N3CCOCC3)c2c1
Show InChI InChI=1S/C30H26FN9O/c1-39(2)17-18-7-20(13-32-12-18)21-10-24-28(37-38-29(24)34-14-21)30-35-26-16-33-15-25(27(26)36-30)19-8-22(31)11-23(9-19)40-3-5-41-6-4-40/h7-16H,3-6,17H2,1-2H3/b30-28+
PDB

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n/an/a 21n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270306
PNG
(US10071086, Compound 12)
Show SMILES CN(C)CCNc1cc(F)cc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C27H22FN9/c1-37(2)7-6-31-20-9-17(8-19(28)11-20)22-14-30-15-23-24(22)34-27(33-23)25-21-10-18(13-32-26(21)36-35-25)16-4-3-5-29-12-16/h3-5,8-15,31H,6-7H2,1-2H3/b27-25+
PDB

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UniChem
n/an/a 21n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275609
PNG
(US10071086, Compound 552)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C27H20FN7/c1-35(2)15-16-9-18(13-29-12-16)19-11-22-25(33-34-26(22)30-14-19)27-31-23-8-4-7-21(24(23)32-27)17-5-3-6-20(28)10-17/h3-14H,15H2,1-2H3/b27-25+
PDB

GoogleScholar
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UniChem
n/an/a 22n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275503
PNG
(US10071086, Compound 458)
Show SMILES O=C(Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccs3)c2c1)C1CC1
Show InChI InChI=1S/C25H16N8OS/c34-25(13-3-4-13)29-16-6-14(8-26-10-16)15-7-17-22(32-33-23(17)28-9-15)24-30-19-12-27-11-18(21(19)31-24)20-2-1-5-35-20/h1-2,5-13H,3-4H2,(H,29,34)/b24-22+
PDB

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UniChem
n/an/a 22n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275754
PNG
(US10071086, Compound 765)
Show SMILES CN(C)c1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C20H15N7/c1-27(2)14-7-12(9-21-11-14)13-8-15-18(25-26-19(15)22-10-13)20-23-16-5-3-4-6-17(16)24-20/h3-11H,1-2H3
PDB

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n/an/a 27n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275740
PNG
(US10071086, Compound 643)
Show SMILES CC(C)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccncc3)c2c1
Show InChI InChI=1S/C26H20N8/c1-15(2)30-19-10-17(12-28-14-19)18-11-21-24(33-34-25(21)29-13-18)26-31-22-5-3-4-20(23(22)32-26)16-6-8-27-9-7-16/h3-15,30H,1-2H3/b26-24+
PDB

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n/an/a 30n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275759
PNG
(US10071086, Compound 797)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccsc3)c2c1
Show InChI InChI=1S/C25H19N7S/c1-32(2)13-15-8-17(11-26-10-15)18-9-20-23(30-31-24(20)27-12-18)25-28-21-5-3-4-19(22(21)29-25)16-6-7-33-14-16/h3-12,14H,13H2,1-2H3/b25-23+
PDB

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n/an/a 32n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270471
PNG
(US10071086, Compound 22)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cc(F)cc(CNS(C)(=O)=O)c3)c2c1
Show InChI InChI=1S/C28H24FN9O2S/c1-38(2)15-17-5-19(11-30-9-17)20-8-22-26(36-37-27(22)32-12-20)28-34-24-14-31-13-23(25(24)35-28)18-4-16(6-21(29)7-18)10-33-41(3,39)40/h4-9,11-14,33H,10,15H2,1-3H3/b28-26+
PDB

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n/an/a 32n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275598
PNG
(US10071086, Compound 551)
Show SMILES CC(C)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C27H20FN7/c1-15(2)31-20-10-17(12-29-14-20)18-11-22-25(34-35-26(22)30-13-18)27-32-23-8-4-7-21(24(23)33-27)16-5-3-6-19(28)9-16/h3-15,31H,1-2H3/b27-25+
PDB

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n/an/a 33n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275738
PNG
(US10071086, Compound 635)
Show SMILES Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccncc3)c2c1
Show InChI InChI=1S/C23H14N8/c24-16-8-14(10-26-12-16)15-9-18-21(30-31-22(18)27-11-15)23-28-19-3-1-2-17(20(19)29-23)13-4-6-25-7-5-13/h1-12H,24H2/b23-21+
PDB

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n/an/a 34n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275737
PNG
(US10071086, Compound 621)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3cccnc3)c2c1
Show InChI InChI=1S/C26H20N8/c1-34(2)15-16-9-18(13-28-11-16)19-10-21-24(32-33-25(21)29-14-19)26-30-22-7-3-6-20(23(22)31-26)17-5-4-8-27-12-17/h3-14H,15H2,1-2H3/b26-24+
PDB

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n/an/a 36n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM269255
PNG
(US10071086, Compound 2)
Show SMILES CC(C)(C)C(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C28H21FN8O/c1-28(2,3)27(38)33-19-8-16(10-30-12-19)17-9-20-24(36-37-25(20)32-11-17)26-34-22-14-31-13-21(23(22)35-26)15-5-4-6-18(29)7-15/h4-14H,1-3H3,(H,33,38)/b26-24+
PDB

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n/an/a 38n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275749
PNG
(US10071086, Compound 728)
Show SMILES Cc1cn(cn1)-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C29H25N9O/c1-17-15-38(16-32-17)24-9-5-8-23-26(24)35-28(34-23)25-22-11-20(13-31-27(22)37-36-25)19-10-21(14-30-12-19)33-29(39)18-6-3-2-4-7-18/h5,8-16,18H,2-4,6-7H2,1H3,(H,33,39)/b28-25+
PDB

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n/an/a 39n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275666
PNG
(US10071086, Compound 581)
Show SMILES Fc1ccc(cc1)-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C28H18FN7O/c29-19-8-6-15(7-9-19)21-2-1-3-23-24(21)34-27(33-23)25-22-11-18(13-31-26(22)36-35-25)17-10-20(14-30-12-17)32-28(37)16-4-5-16/h1-3,6-14,16H,4-5H2,(H,32,37)/b27-25+
PDB

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n/an/a 48n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275752
PNG
(US10071086, Compound 758)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(CN2CCC(F)(F)C2)c1
Show InChI InChI=1S/C28H27F2N9/c1-37-7-9-39(10-8-37)23-4-2-3-22-25(23)34-27(33-22)24-21-12-20(15-32-26(21)36-35-24)19-11-18(13-31-14-19)16-38-6-5-28(29,30)17-38/h2-4,11-15H,5-10,16-17H2,1H3/b27-24+
PDB

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n/an/a 48n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275495
PNG
(US10071086, Compound 452)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccs3)c2c1
Show InChI InChI=1S/C24H18N8S/c1-32(2)13-14-6-15(9-25-8-14)16-7-17-22(30-31-23(17)27-10-16)24-28-19-12-26-11-18(21(19)29-24)20-4-3-5-33-20/h3-12H,13H2,1-2H3/b24-22+
PDB

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n/an/a 48n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275762
PNG
(US10071086, Compound 818)
Show SMILES CC(C)(C)C(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccoc3)c2c1
Show InChI InChI=1S/C27H21N7O2/c1-27(2,3)26(35)30-18-9-16(11-28-13-18)17-10-20-23(33-34-24(20)29-12-17)25-31-21-6-4-5-19(22(21)32-25)15-7-8-36-14-15/h4-14H,1-3H3,(H,30,35)/b25-23+
PDB

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n/an/a 50n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM271093
PNG
(US10071086, Compound 376)
Show SMILES O=C(Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccoc3)c2c1)c1ccccc1
Show InChI InChI=1S/C28H16N8O2/c37-28(16-4-2-1-3-5-16)32-20-8-18(10-29-12-20)19-9-21-25(35-36-26(21)31-11-19)27-33-23-14-30-13-22(24(23)34-27)17-6-7-38-15-17/h1-15H,(H,32,37)/b27-25+
PDB

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n/an/a 51n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275659
PNG
(US10071086, Compound 557)
Show SMILES CCCCC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C29H22FN7O/c1-2-3-10-25(38)33-21-12-18(14-31-16-21)19-13-23-27(36-37-28(23)32-15-19)29-34-24-9-5-8-22(26(24)35-29)17-6-4-7-20(30)11-17/h4-9,11-16H,2-3,10H2,1H3,(H,33,38)/b29-27+
PDB

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n/an/a 53n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270853
PNG
(US10071086, Compound 346)
Show SMILES CN(C)c1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccsc3)c2c1
Show InChI InChI=1S/C23H16N8S/c1-31(2)16-5-14(7-24-9-16)15-6-17-21(29-30-22(17)26-8-15)23-27-19-11-25-10-18(20(19)28-23)13-3-4-32-12-13/h3-12H,1-2H3/b23-21+
PDB

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n/an/a 56n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270854
PNG
(US10071086, Compound 352)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccsc3)c2c1
Show InChI InChI=1S/C24H18N8S/c1-32(2)12-14-5-16(8-25-7-14)17-6-18-22(30-31-23(18)27-9-17)24-28-20-11-26-10-19(21(20)29-24)15-3-4-33-13-15/h3-11,13H,12H2,1-2H3/b24-22+
PDB

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n/an/a 57n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270830
PNG
(US10071086, Compound 325)
Show SMILES CC(C)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccncc4[nH]3)c2c1
Show InChI InChI=1S/C20H16N8/c1-11(2)24-14-5-12(7-22-9-14)13-6-15-18(27-28-19(15)23-8-13)20-25-16-3-4-21-10-17(16)26-20/h3-11,24H,1-2H3/b20-18-
PDB

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n/an/a 58n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275763
PNG
(US10071086, Compound 827)
Show SMILES CCCC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccoc3)c2c1
Show InChI InChI=1S/C26H19N7O2/c1-2-4-22(34)29-18-9-16(11-27-13-18)17-10-20-24(32-33-25(20)28-12-17)26-30-21-6-3-5-19(23(21)31-26)15-7-8-35-14-15/h3,5-14H,2,4H2,1H3,(H,29,34)/b26-24+
PDB

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n/an/a 63n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Beta-catenin-interacting protein 1


()
BDBM269261
PNG
(US10071086, Compound 9)
Show SMILES CC(C)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C26H19FN8/c1-14(2)31-19-7-16(9-28-11-19)17-8-20-24(34-35-25(20)30-10-17)26-32-22-13-29-12-21(23(22)33-26)15-4-3-5-18(27)6-15/h3-14,31H,1-2H3/b26-24+
PDB

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n/an/a 67n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds of Formulas (I) or (II) were screened in a β-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270999
PNG
(US10071086, Compound 373)
Show SMILES CC(C)(C)C(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccoc3)c2c1
Show InChI InChI=1S/C26H20N8O2/c1-26(2,3)25(35)30-17-6-15(8-27-10-17)16-7-18-22(33-34-23(18)29-9-16)24-31-20-12-28-11-19(21(20)32-24)14-4-5-36-13-14/h4-13H,1-3H3,(H,30,35)/b24-22+
PDB

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n/an/a 70n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275665
PNG
(US10071086, Compound 573)
Show SMILES Fc1ccc(cc1)-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C31H18FN7O/c32-22-11-9-18(10-12-22)24-7-4-8-26-27(24)37-30(36-26)28-25-14-21(16-34-29(25)39-38-28)20-13-23(17-33-15-20)35-31(40)19-5-2-1-3-6-19/h1-17H,(H,35,40)/b30-28+
PDB

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n/an/a 82n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275760
PNG
(US10071086, Compound 799)
Show SMILES C(N1CCCCC1)c1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccsc3)c2c1
Show InChI InChI=1S/C28H23N7S/c1-2-8-35(9-3-1)16-18-11-20(14-29-13-18)21-12-23-26(33-34-27(23)30-15-21)28-31-24-6-4-5-22(25(24)32-28)19-7-10-36-17-19/h4-7,10-15,17H,1-3,8-9,16H2/b28-26+
PDB

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n/an/a 82n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275661
PNG
(US10071086, Compound 560)
Show SMILES Fc1cccc(c1)-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(NC(=O)C2CCCC2)c1
Show InChI InChI=1S/C30H22FN7O/c31-21-8-3-7-18(11-21)23-9-4-10-25-26(23)36-29(35-25)27-24-13-20(15-33-28(24)38-37-27)19-12-22(16-32-14-19)34-30(39)17-5-1-2-6-17/h3-4,7-17H,1-2,5-6H2,(H,34,39)/b29-27+
PDB

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n/an/a 90n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270607
PNG
(US10071086, Compound 128)
Show SMILES Fc1ccc(cc1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C31H19FN8O/c32-22-8-6-19(7-9-22)25-16-34-17-26-28(25)38-31(37-26)29-24-12-21(14-35-30(24)40-39-29)20-11-23(15-33-13-20)36-27(41)10-18-4-2-1-3-5-18/h1-9,11-17H,10H2,(H,36,41)/b31-29+
PDB

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n/an/a 90n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275570
PNG
(US10071086, Compound 547)
Show SMILES CCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C27H20FN7/c1-2-29-12-16-9-18(14-30-13-16)19-11-22-25(34-35-26(22)31-15-19)27-32-23-8-4-7-21(24(23)33-27)17-5-3-6-20(28)10-17/h3-11,13-15,29H,2,12H2,1H3/b27-25+
PDB

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n/an/a 97n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275539
PNG
(US10071086, Compound 463)
Show SMILES C(NCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccs3)c2c1)C1CCCC1
Show InChI InChI=1S/C28H24N8S/c1-2-5-17(4-1)10-29-11-18-8-19(13-30-12-18)20-9-21-26(35-36-27(21)32-14-20)28-33-23-16-31-15-22(25(23)34-28)24-6-3-7-37-24/h3,6-9,12-17,29H,1-2,4-5,10-11H2/b28-26+
PDB

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n/an/a 98n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM269263
PNG
(US10071086, Compound 11)
Show SMILES CN1CCN(CC1)c1cc(F)cc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C28H22FN9/c1-37-5-7-38(8-6-37)21-10-18(9-20(29)12-21)23-15-31-16-24-25(23)34-28(33-24)26-22-11-19(14-32-27(22)36-35-26)17-3-2-4-30-13-17/h2-4,9-16H,5-8H2,1H3/b28-26+
PDB

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n/an/a 99n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275739
PNG
(US10071086, Compound 637)
Show SMILES Cc1ccncc1-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccncc3)c2c1
Show InChI InChI=1S/C24H15N7/c1-14-5-8-26-13-19(14)16-11-18-22(30-31-23(18)27-12-16)24-28-20-4-2-3-17(21(20)29-24)15-6-9-25-10-7-15/h2-13H,1H3/b24-22+
PDB

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n/an/a 110n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275765
PNG
(US10071086, Compound 898)
Show SMILES C(N1CCCC1)c1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3cccs3)c2c1
Show InChI InChI=1S/C27H21N7S/c1-2-9-34(8-1)16-17-11-18(14-28-13-17)19-12-21-25(32-33-26(21)29-15-19)27-30-22-6-3-5-20(24(22)31-27)23-7-4-10-35-23/h3-7,10-15H,1-2,8-9,16H2/b27-25+
PDB

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n/an/a 120n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275731
PNG
(US10071086, Compound 594)
Show SMILES CC(C)(C)C(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccccc3F)c2c1
Show InChI InChI=1S/C29H22FN7O/c1-29(2,3)28(38)33-18-11-16(13-31-15-18)17-12-21-25(36-37-26(21)32-14-17)27-34-23-10-6-8-20(24(23)35-27)19-7-4-5-9-22(19)30/h4-15H,1-3H3,(H,33,38)/b27-25+
PDB

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n/an/a 120n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270440
PNG
(US10071086, Compound 14)
Show SMILES CN(C)Cc1cc(F)cc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C26H19FN8/c1-35(2)14-15-6-17(8-19(27)7-15)21-12-29-13-22-23(21)32-26(31-22)24-20-9-18(11-30-25(20)34-33-24)16-4-3-5-28-10-16/h3-13H,14H2,1-2H3/b26-24+
PDB

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n/an/a 138n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275662
PNG
(US10071086, Compound 561)
Show SMILES Fc1cccc(c1)-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C31H24FN7O/c32-22-9-4-8-19(12-22)24-10-5-11-26-27(24)37-30(36-26)28-25-14-21(16-34-29(25)39-38-28)20-13-23(17-33-15-20)35-31(40)18-6-2-1-3-7-18/h4-5,8-18H,1-3,6-7H2,(H,35,40)/b30-28+
PDB

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n/an/a 143n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270459
PNG
(US10071086, Compound 21)
Show SMILES Fc1cc(cc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1)N1CCNCC1
Show InChI InChI=1S/C27H20FN9/c28-19-8-17(9-20(11-19)37-6-4-29-5-7-37)22-14-31-15-23-24(22)34-27(33-23)25-21-10-18(13-32-26(21)36-35-25)16-2-1-3-30-12-16/h1-3,8-15,29H,4-7H2/b27-25+
PDB

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n/an/a 167n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275743
PNG
(US10071086, Compound 680)
Show SMILES FC1(F)CCN(Cc2cncc(c2)-c2cnc3[nH]nc(-c4nc5c(cccc5[nH]4)-c4ccccn4)c3c2)C1
Show InChI InChI=1S/C28H20F2N8/c29-28(30)7-9-38(16-28)15-17-10-18(13-31-12-17)19-11-21-25(36-37-26(21)33-14-19)27-34-23-6-3-4-20(24(23)35-27)22-5-1-2-8-32-22/h1-6,8,10-14H,7,9,15-16H2/b27-25+
PDB

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n/an/a 170n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270439
PNG
(US10071086, Compound 13)
Show SMILES Fc1cc(cc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1)N1CCOCC1
Show InChI InChI=1S/C27H19FN8O/c28-19-8-17(9-20(11-19)36-4-6-37-7-5-36)22-14-30-15-23-24(22)33-27(32-23)25-21-10-18(13-31-26(21)35-34-25)16-2-1-3-29-12-16/h1-3,8-15H,4-7H2/b27-25+
PDB

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n/an/a 172n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Beta-catenin-interacting protein 1


()
BDBM269257
PNG
(US10071086, Compound 5)
Show SMILES Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C23H13FN8/c24-15-3-1-2-12(4-15)18-10-27-11-19-20(18)30-23(29-19)21-17-6-14(8-28-22(17)32-31-21)13-5-16(25)9-26-7-13/h1-11H,25H2/b23-21+
PDB

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n/an/a 175n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds of Formulas (I) or (II) were screened in a β-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275744
PNG
(US10071086, Compound 691)
Show SMILES O=C(Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)N3CCCCC3)c2c1)c1ccccc1
Show InChI InChI=1S/C30H24N8O/c39-30(19-8-3-1-4-9-19)33-22-14-20(16-31-18-22)21-15-23-26(36-37-28(23)32-17-21)29-34-24-10-7-11-25(27(24)35-29)38-12-5-2-6-13-38/h1,3-4,7-11,14-18H,2,5-6,12-13H2,(H,33,39)/b29-26+
PDB

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n/an/a 187n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270619
PNG
(US10071086, Compound 241)
Show SMILES CCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)N3CCCCC3)c2c1
Show InChI InChI=1S/C25H25N9/c1-2-26-10-16-8-17(12-27-11-16)18-9-19-22(32-33-24(19)29-13-18)25-30-20-14-28-15-21(23(20)31-25)34-6-4-3-5-7-34/h8-9,11-15,26H,2-7,10H2,1H3/b25-22+
PDB

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n/an/a 190n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275658
PNG
(US10071086, Compound 554)
Show SMILES Fc1cccc(c1)-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(CN2CCCCC2)c1
Show InChI InChI=1S/C30H24FN7/c31-23-7-4-6-20(13-23)24-8-5-9-26-27(24)35-30(34-26)28-25-14-22(17-33-29(25)37-36-28)21-12-19(15-32-16-21)18-38-10-2-1-3-11-38/h4-9,12-17H,1-3,10-11,18H2/b30-28+
PDB

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n/an/a 200n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275755
PNG
(US10071086, Compound 774)
Show SMILES CC(C)(C)CC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C24H21N7O/c1-24(2,3)10-20(32)27-16-8-14(11-25-13-16)15-9-17-21(30-31-22(17)26-12-15)23-28-18-6-4-5-7-19(18)29-23/h4-9,11-13H,10H2,1-3H3,(H,27,32)
PDB

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n/an/a 200n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275748
PNG
(US10071086, Compound 719)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-n3cnc(C)c3)c2c1
Show InChI InChI=1S/C25H21N9/c1-15-12-34(14-28-15)21-6-4-5-20-23(21)30-25(29-20)22-19-8-18(11-27-24(19)32-31-22)17-7-16(9-26-10-17)13-33(2)3/h4-12,14H,13H2,1-3H3/b25-22+
PDB

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n/an/a 200n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Beta-catenin-interacting protein 1


()
BDBM269263
PNG
(US10071086, Compound 11)
Show SMILES CN1CCN(CC1)c1cc(F)cc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C28H22FN9/c1-37-5-7-38(8-6-37)21-10-18(9-20(29)12-21)23-15-31-16-24-25(23)34-28(33-24)26-22-11-19(14-32-27(22)36-35-26)17-3-2-4-30-13-17/h2-4,9-16H,5-8H2,1H3/b28-26+
PDB

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n/an/a 210n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds of Formulas (I) or (II) were screened in a β-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275733
PNG
(US10071086, Compound 599)
Show SMILES Fc1ccccc1-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(CN2CCCC2)c1
Show InChI InChI=1S/C29H22FN7/c30-24-8-2-1-6-21(24)22-7-5-9-25-26(22)34-29(33-25)27-23-13-20(16-32-28(23)36-35-27)19-12-18(14-31-15-19)17-37-10-3-4-11-37/h1-2,5-9,12-16H,3-4,10-11,17H2/b29-27+
PDB

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n/an/a 220n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275751
PNG
(US10071086, Compound 752)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(NC(=O)C2CCC2)c1
Show InChI InChI=1S/C28H27N9O/c1-36-8-10-37(11-9-36)23-7-3-6-22-25(23)33-27(32-22)24-21-13-19(15-30-26(21)35-34-24)18-12-20(16-29-14-18)31-28(38)17-4-2-5-17/h3,6-7,12-17H,2,4-5,8-11H2,1H3,(H,31,38)/b27-24+
PDB

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n/an/a 226n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270622
PNG
(US10071086, Compound 254)
Show SMILES O=C(Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)N3CCCCC3)c2c1)C1CC1
Show InChI InChI=1S/C26H23N9O/c36-26(15-4-5-15)30-18-8-16(10-27-12-18)17-9-19-22(33-34-24(19)29-11-17)25-31-20-13-28-14-21(23(20)32-25)35-6-2-1-3-7-35/h8-15H,1-7H2,(H,30,36)/b25-22+
PDB

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n/an/a 235n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Beta-catenin-interacting protein 1


()
BDBM269262
PNG
(US10071086, Compound 10)
Show SMILES CN1CCN(Cc2cc(F)cc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ncc(cc23)-c2cccnc2)CC1
Show InChI InChI=1S/C29H24FN9/c1-38-5-7-39(8-6-38)17-18-9-20(11-22(30)10-18)24-15-32-16-25-26(24)35-29(34-25)27-23-12-21(14-33-28(23)37-36-27)19-3-2-4-31-13-19/h2-4,9-16H,5-8,17H2,1H3/b29-27+
PDB

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n/an/a 247n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds of Formulas (I) or (II) were screened in a β-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM269262
PNG
(US10071086, Compound 10)
Show SMILES CN1CCN(Cc2cc(F)cc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ncc(cc23)-c2cccnc2)CC1
Show InChI InChI=1S/C29H24FN9/c1-38-5-7-39(8-6-38)17-18-9-20(11-22(30)10-18)24-15-32-16-25-26(24)35-29(34-25)27-23-12-21(14-33-28(23)37-36-27)19-3-2-4-31-13-19/h2-4,9-16H,5-8,17H2,1H3/b29-27+
PDB

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n/an/a 263n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270998
PNG
(US10071086, Compound 354)
Show SMILES C(N1CCCCC1)c1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccsc3)c2c1
Show InChI InChI=1S/C27H22N8S/c1-2-5-35(6-3-1)15-17-8-19(11-28-10-17)20-9-21-25(33-34-26(21)30-12-20)27-31-23-14-29-13-22(24(23)32-27)18-4-7-36-16-18/h4,7-14,16H,1-3,5-6,15H2/b27-25+
PDB

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n/an/a 293n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275745
PNG
(US10071086, Compound 698)
Show SMILES CCCCC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)N3CCCCC3)c2c1
Show InChI InChI=1S/C28H28N8O/c1-2-3-10-24(37)31-20-13-18(15-29-17-20)19-14-21-25(34-35-27(21)30-16-19)28-32-22-8-7-9-23(26(22)33-28)36-11-5-4-6-12-36/h7-9,13-17H,2-6,10-12H2,1H3,(H,31,37)/b28-25+
PDB

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n/an/a 300n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Beta-catenin-interacting protein 1


()
BDBM270306
PNG
(US10071086, Compound 12)
Show SMILES CN(C)CCNc1cc(F)cc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C27H22FN9/c1-37(2)7-6-31-20-9-17(8-19(28)11-20)22-14-30-15-23-24(22)34-27(33-23)25-21-10-18(13-32-26(21)36-35-25)16-4-3-5-29-12-16/h3-5,8-15,31H,6-7H2,1-2H3/b27-25+
PDB

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n/an/a 310n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds of Formulas (I) or (II) were screened in a β-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275753
PNG
(US10071086, Compound 761)
Show SMILES Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C18H11N7/c19-12-5-10(7-20-9-12)11-6-13-16(24-25-17(13)21-8-11)18-22-14-3-1-2-4-15(14)23-18/h1-9H,19H2
PDB

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n/an/a 320n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270441
PNG
(US10071086, Compound 15)
Show SMILES CC(C)N1CCN(CC1)c1cc(F)cc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C30H26FN9/c1-18(2)39-6-8-40(9-7-39)23-11-20(10-22(31)13-23)25-16-33-17-26-27(25)36-30(35-26)28-24-12-21(15-34-29(24)38-37-28)19-4-3-5-32-14-19/h3-5,10-18H,6-9H2,1-2H3/b30-28+
PDB

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n/an/a 326n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM269256
PNG
(US10071086, Compound 4)
Show SMILES CN1CCN(CC1)c1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C28H22FN9/c1-37-5-7-38(8-6-37)21-10-18(12-30-14-21)19-11-22-26(35-36-27(22)32-13-19)28-33-24-16-31-15-23(25(24)34-28)17-3-2-4-20(29)9-17/h2-4,9-16H,5-8H2,1H3/b28-26+
PDB

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n/an/a 333n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270618
PNG
(US10071086, Compound 238)
Show SMILES Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)N3CCCCC3)c2c1
Show InChI InChI=1S/C22H19N9/c23-15-6-13(8-24-10-15)14-7-16-19(29-30-21(16)26-9-14)22-27-17-11-25-12-18(20(17)28-22)31-4-2-1-3-5-31/h6-12H,1-5,23H2/b22-19+
PDB

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n/an/a 350n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275732
PNG
(US10071086, Compound 595)
Show SMILES Fc1ccccc1-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C32H20FN7O/c33-26-11-5-4-9-23(26)24-10-6-12-27-29(24)38-32(37-27)30-25-15-21(17-35-31(25)40-39-30)20-14-22(18-34-16-20)36-28(41)13-19-7-2-1-3-8-19/h1-12,14-18H,13H2,(H,36,41)/b32-30+
PDB

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n/an/a 354n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270449
PNG
(US10071086, Compound 16)
Show SMILES Fc1cc(CN2CCCC2)cc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C28H21FN8/c29-21-9-17(16-37-6-1-2-7-37)8-19(10-21)23-14-31-15-24-25(23)34-28(33-24)26-22-11-20(13-32-27(22)36-35-26)18-4-3-5-30-12-18/h3-5,8-15H,1-2,6-7,16H2/b28-26+
PDB

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n/an/a 384n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270611
PNG
(US10071086, Compound 178)
Show SMILES C(N1CCCCC1)c1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccnc3)c2c1
Show InChI InChI=1S/C28H23N9/c1-2-7-37(8-3-1)17-18-9-20(13-30-11-18)21-10-22-26(35-36-27(22)32-14-21)28-33-24-16-31-15-23(25(24)34-28)19-5-4-6-29-12-19/h4-6,9-16H,1-3,7-8,17H2/b28-26+
PDB

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n/an/a 392n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275729
PNG
(US10071086, Compound 586)
Show SMILES Fc1ccc(cc1)-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(CNCC2CCCC2)c1
Show InChI InChI=1S/C31H26FN7/c32-24-10-8-21(9-11-24)25-6-3-7-27-28(25)37-31(36-27)29-26-13-23(18-35-30(26)39-38-29)22-12-20(16-34-17-22)15-33-14-19-4-1-2-5-19/h3,6-13,16-19,33H,1-2,4-5,14-15H2/b31-29+
PDB

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n/an/a 420n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Beta-catenin-interacting protein 1


()
BDBM270451
PNG
(US10071086, Compound 18)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C26H19FN8/c1-35(2)14-15-6-17(10-28-9-15)18-8-20-24(33-34-25(20)30-11-18)26-31-22-13-29-12-21(23(22)32-26)16-4-3-5-19(27)7-16/h3-13H,14H2,1-2H3/b26-24+
PDB

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n/an/a 440n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds of Formulas (I) or (II) were screened in a β-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270452
PNG
(US10071086, Compound 19)
Show SMILES CC1CCN(CC1)c1cc(F)cc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C29H23FN8/c1-17-4-7-38(8-5-17)22-10-19(9-21(30)12-22)24-15-32-16-25-26(24)35-29(34-25)27-23-11-20(14-33-28(23)37-36-27)18-3-2-6-31-13-18/h2-3,6,9-17H,4-5,7-8H2,1H3/b29-27+
PDB

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n/an/a 499n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM269258
PNG
(US10071086, Compound 6)
Show SMILES CN(C)CCNc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C27H22FN9/c1-37(2)7-6-31-20-9-17(11-29-13-20)18-10-21-25(35-36-26(21)32-12-18)27-33-23-15-30-14-22(24(23)34-27)16-4-3-5-19(28)8-16/h3-5,8-15,31H,6-7H2,1-2H3/b27-25+
PDB

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n/an/a 550n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270450
PNG
(US10071086, Compound 17)
Show SMILES CC(C)N(Cc1cc(F)cc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1)C(C)C
Show InChI InChI=1S/C30H27FN8/c1-17(2)39(18(3)4)16-19-8-21(10-23(31)9-19)25-14-33-15-26-27(25)36-30(35-26)28-24-11-22(13-34-29(24)38-37-28)20-6-5-7-32-12-20/h5-15,17-18H,16H2,1-4H3/b30-28+
PDB

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n/an/a 550n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275750
PNG
(US10071086, Compound 738)
Show SMILES CCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C26H27N9/c1-3-27-13-17-11-18(15-28-14-17)19-12-20-23(32-33-25(20)29-16-19)26-30-21-5-4-6-22(24(21)31-26)35-9-7-34(2)8-10-35/h4-6,11-12,14-16,27H,3,7-10,13H2,1-2H3/b26-23+
PDB

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n/an/a 550n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275746
PNG
(US10071086, Compound 701)
Show SMILES O=C(Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)N3CCCCC3)c2c1)C1CCCC1
Show InChI InChI=1S/C29H28N8O/c38-29(18-7-2-3-8-18)32-21-13-19(15-30-17-21)20-14-22-25(35-36-27(22)31-16-20)28-33-23-9-6-10-24(26(23)34-28)37-11-4-1-5-12-37/h6,9-10,13-18H,1-5,7-8,11-12H2,(H,32,38)/b28-25+
PDB

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n/an/a 625n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270608
PNG
(US10071086, Compound 142)
Show SMILES Fc1ccc(cc1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(CNCC2CCCC2)c1
Show InChI InChI=1S/C30H25FN8/c31-23-7-5-20(6-8-23)25-16-34-17-26-27(25)37-30(36-26)28-24-10-22(15-35-29(24)39-38-28)21-9-19(13-33-14-21)12-32-11-18-3-1-2-4-18/h5-10,13-18,32H,1-4,11-12H2/b30-28+
PDB

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n/an/a 645n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270493
PNG
(US10071086, Compound 28)
Show SMILES Fc1cccc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(CN2CCCCC2)c1
Show InChI InChI=1S/C29H23FN8/c30-22-6-4-5-19(10-22)24-15-32-16-25-26(24)35-29(34-25)27-23-11-21(14-33-28(23)37-36-27)20-9-18(12-31-13-20)17-38-7-2-1-3-8-38/h4-6,9-16H,1-3,7-8,17H2/b29-27+
PDB

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n/an/a 720n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270831
PNG
(US10071086, Compound 336)
Show SMILES C(NCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccncc4[nH]3)c2c1)c1ccccc1
Show InChI InChI=1S/C25H18N8/c1-2-4-16(5-3-1)10-27-11-17-8-18(13-28-12-17)19-9-20-23(32-33-24(20)29-14-19)25-30-21-6-7-26-15-22(21)31-25/h1-9,12-15,27H,10-11H2/b25-23-
PDB

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n/an/a 790n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275747
PNG
(US10071086, Compound 704)
Show SMILES C(NCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)N3CCCCC3)c2c1)C1CCCC1
Show InChI InChI=1S/C30H32N8/c1-4-11-38(12-5-1)26-10-6-9-25-28(26)35-30(34-25)27-24-14-23(19-33-29(24)37-36-27)22-13-21(17-32-18-22)16-31-15-20-7-2-3-8-20/h6,9-10,13-14,17-20,31H,1-5,7-8,11-12,15-16H2/b30-27+
PDB

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n/an/a 810n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270815
PNG
(US10071086, Compound 309)
Show SMILES CN1CCN(CC1)c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C29H30N10O/c1-38-7-9-39(10-8-38)24-17-31-16-23-26(24)35-28(34-23)25-22-12-20(14-32-27(22)37-36-25)19-11-21(15-30-13-19)33-29(40)18-5-3-2-4-6-18/h11-18H,2-10H2,1H3,(H,33,40)/b28-25+
PDB

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n/an/a 1.02E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270614
PNG
(US10071086, Compound 192)
Show SMILES Cc1ccncc1-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccncc3)c2c1
Show InChI InChI=1S/C23H14N8/c1-13-2-5-25-10-17(13)15-8-16-21(30-31-22(16)27-9-15)23-28-19-12-26-11-18(20(19)29-23)14-3-6-24-7-4-14/h2-12H,1H3/b23-21+
PDB

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n/an/a 1.05E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Beta-catenin-interacting protein 1


()
BDBM275495
PNG
(US10071086, Compound 452)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccs3)c2c1
Show InChI InChI=1S/C24H18N8S/c1-32(2)13-14-6-15(9-25-8-14)16-7-17-22(30-31-23(17)27-10-16)24-28-19-12-26-11-18(21(19)29-24)20-4-3-5-33-20/h3-12H,13H2,1-2H3/b24-22+
PDB

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n/an/a 1.09E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds of Formulas (I) or (II) were screened in a β-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270615
PNG
(US10071086, Compound 198)
Show SMILES CC(C)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccncc3)c2c1
Show InChI InChI=1S/C25H19N9/c1-14(2)30-18-7-16(9-27-11-18)17-8-19-23(33-34-24(19)29-10-17)25-31-21-13-28-12-20(22(21)32-25)15-3-5-26-6-4-15/h3-14,30H,1-2H3/b25-23+
PDB

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n/an/a 1.13E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270620
PNG
(US10071086, Compound 246)
Show SMILES O=C(Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)N3CCCCC3)c2c1)c1ccccc1
Show InChI InChI=1S/C29H23N9O/c39-29(18-7-3-1-4-8-18)33-21-11-19(13-30-15-21)20-12-22-25(36-37-27(22)32-14-20)28-34-23-16-31-17-24(26(23)35-28)38-9-5-2-6-10-38/h1,3-4,7-8,11-17H,2,5-6,9-10H2,(H,33,39)/b28-25+
PDB

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n/an/a 1.27E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270613
PNG
(US10071086, Compound 185)
Show SMILES O=C(Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccnc3)c2c1)C1CCCCC1
Show InChI InChI=1S/C29H23N9O/c39-29(17-5-2-1-3-6-17)34-21-9-19(12-31-14-21)20-10-22-26(37-38-27(22)33-13-20)28-35-24-16-32-15-23(25(24)36-28)18-7-4-8-30-11-18/h4,7-17H,1-3,5-6H2,(H,34,39)/b28-26+
PDB

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n/an/a 1.32E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275736
PNG
(US10071086, Compound 616)
Show SMILES CN(C)c1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3cccnc3)c2c1
Show InChI InChI=1S/C25H18N8/c1-33(2)18-9-16(12-27-14-18)17-10-20-23(31-32-24(20)28-13-17)25-29-21-7-3-6-19(22(21)30-25)15-5-4-8-26-11-15/h3-14H,1-2H3/b25-23+
PDB

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n/an/a 1.41E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275756
PNG
(US10071086, Compound 781)
Show SMILES C(NCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1
Show InChI InChI=1S/C26H19N7/c1-2-6-17(7-3-1)12-27-13-18-10-19(15-28-14-18)20-11-21-24(32-33-25(21)29-16-20)26-30-22-8-4-5-9-23(22)31-26/h1-11,14-16,27H,12-13H2
PDB

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n/an/a 1.44E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270612
PNG
(US10071086, Compound 179)
Show SMILES CC(C)(C)CC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccnc3)c2c1
Show InChI InChI=1S/C28H23N9O/c1-28(2,3)9-23(38)33-19-7-17(11-30-13-19)18-8-20-25(36-37-26(20)32-12-18)27-34-22-15-31-14-21(24(22)35-27)16-5-4-6-29-10-16/h4-8,10-15H,9H2,1-3H3,(H,33,38)/b27-25+
PDB

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n/an/a 1.45E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275742
PNG
(US10071086, Compound 654)
Show SMILES C(NCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccncc3)c2c1)c1ccccc1
Show InChI InChI=1S/C31H22N8/c1-2-5-20(6-3-1)15-33-16-21-13-23(18-34-17-21)24-14-26-29(38-39-30(26)35-19-24)31-36-27-8-4-7-25(28(27)37-31)22-9-11-32-12-10-22/h1-14,17-19,33H,15-16H2/b31-29+
PDB

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n/an/a 1.50E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM275741
PNG
(US10071086, Compound 647)
Show SMILES CC(C)(C)CC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccncc3)c2c1
Show InChI InChI=1S/C29H24N8O/c1-29(2,3)13-24(38)33-20-11-18(14-31-16-20)19-12-22-26(36-37-27(22)32-15-19)28-34-23-6-4-5-21(25(23)35-28)17-7-9-30-10-8-17/h4-12,14-16H,13H2,1-3H3,(H,33,38)/b28-26+
PDB

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n/an/a 1.52E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270610
PNG
(US10071086, Compound 176)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccnc3)c2c1
Show InChI InChI=1S/C25H19N9/c1-34(2)14-15-6-17(10-27-8-15)18-7-19-23(32-33-24(19)29-11-18)25-30-21-13-28-12-20(22(21)31-25)16-4-3-5-26-9-16/h3-13H,14H2,1-2H3/b25-23+
PDB

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n/an/a 1.55E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270489
PNG
(US10071086, Compound 27)
Show SMILES Fc1cccc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc(CN2CCCC2)c1
Show InChI InChI=1S/C28H21FN8/c29-21-5-3-4-18(9-21)23-14-31-15-24-25(23)34-28(33-24)26-22-10-20(13-32-27(22)36-35-26)19-8-17(11-30-12-19)16-37-6-1-2-7-37/h3-5,8-15H,1-2,6-7,16H2/b28-26+
PDB

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n/an/a 1.78E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Beta-catenin-interacting protein 1


()
BDBM269259
PNG
(US10071086, Compound 7)
Show SMILES CN(C)c1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C25H17FN8/c1-34(2)18-7-15(9-27-11-18)16-8-19-23(32-33-24(19)29-10-16)25-30-21-13-28-12-20(22(21)31-25)14-4-3-5-17(26)6-14/h3-13H,1-2H3/b25-23+
PDB

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n/an/a 1.90E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds of Formulas (I) or (II) were screened in a β-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Beta-catenin-interacting protein 1


()
BDBM270440
PNG
(US10071086, Compound 14)
Show SMILES CN(C)Cc1cc(F)cc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C26H19FN8/c1-35(2)14-15-6-17(8-19(27)7-15)21-12-29-13-22-23(21)32-26(31-22)24-20-9-18(11-30-25(20)34-33-24)16-4-3-5-28-10-16/h3-13H,14H2,1-2H3/b26-24+
PDB

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n/an/a 2.03E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds of Formulas (I) or (II) were screened in a β-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Beta-catenin-interacting protein 1


()
BDBM275766
PNG
((6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-8-(naphthale...)
Show SMILES Oc1ccc(CC2N3C(CN(Cc4cccc5ccccc45)C2=O)N(CCC3=O)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)
PDB

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n/an/a 7.00E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds of Formulas (I) or (II) were screened in a β-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270773
PNG
(US10071086, Compound 305)
Show SMILES CCCCC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C27H28N10O/c1-3-4-5-23(38)31-19-10-17(12-28-14-19)18-11-20-24(34-35-26(20)30-13-18)27-32-21-15-29-16-22(25(21)33-27)37-8-6-36(2)7-9-37/h10-16H,3-9H2,1-2H3,(H,31,38)/b27-24+
PDB

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n/an/a 7.35E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM269260
PNG
(US10071086, Compound 8)
Show SMILES CCNC(=O)c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C20H14N8O/c1-2-23-20(29)14-9-22-10-15-16(14)26-19(25-15)17-13-6-12(8-24-18(13)28-27-17)11-4-3-5-21-7-11/h3-10H,2H2,1H3,(H,23,29)/b19-17+
PDB

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n/an/a 8.25E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270616
PNG
(US10071086, Compound 209)
Show SMILES C(NCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccncc3)c2c1)c1ccccc1
Show InChI InChI=1S/C30H21N9/c1-2-4-19(5-3-1)12-32-13-20-10-22(15-33-14-20)23-11-24-28(38-39-29(24)35-16-23)30-36-26-18-34-17-25(27(26)37-30)21-6-8-31-9-7-21/h1-11,14-18,32H,12-13H2/b30-28+
PDB

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n/an/a 9.80E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270485
PNG
(US10071086, Compound 25)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cncc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C26H18F3N9/c1-38(2)13-14-3-15(7-30-6-14)16-5-19-23(36-37-24(19)33-9-16)25-34-21-12-32-11-20(22(21)35-25)17-4-18(10-31-8-17)26(27,28)29/h3-12H,13H2,1-2H3/b25-23+
PDB

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n/an/a 1.00E+4n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270472
PNG
(US10071086, Compound 23)
Show SMILES Fc1cncc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C22H11FN8/c23-15-4-14(7-25-9-15)17-10-26-11-18-19(17)29-22(28-18)20-16-5-13(8-27-21(16)31-30-20)12-2-1-3-24-6-12/h1-11H/b22-20+
PDB

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n/an/a 1.00E+4n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270621
PNG
(US10071086, Compound 249)
Show SMILES C(N1CCCC1)c1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)N3CCCCC3)c2c1
Show InChI InChI=1S/C27H27N9/c1-2-8-36(9-3-1)23-16-29-15-22-25(23)32-27(31-22)24-21-11-20(14-30-26(21)34-33-24)19-10-18(12-28-13-19)17-35-6-4-5-7-35/h10-16H,1-9,17H2/b27-24+
PDB

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n/an/a 1.00E+4n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM270458
PNG
(US10071086, Compound 20)
Show SMILES CN(C)Cc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cncc(F)c3)c2c1
Show InChI InChI=1S/C25H18FN9/c1-35(2)13-14-3-15(7-27-6-14)16-5-19-23(33-34-24(19)30-9-16)25-31-21-12-29-11-20(22(21)32-25)17-4-18(26)10-28-8-17/h3-12H,13H2,1-2H3/b25-23+
PDB

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n/an/a 1.00E+4n/an/an/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10071086 (2018)

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