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Compile Data Set for Download or QSAR

Found 105 hits of Enz. Inhib. data with enzyme = 'Adenomatous polyposis coli protein' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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))
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

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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))
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

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
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))
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

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
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))
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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PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
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

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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))
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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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))
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+
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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
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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+
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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+
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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+
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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+
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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+
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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+
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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+
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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+
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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+
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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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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+
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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+
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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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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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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+
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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+
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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-
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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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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))
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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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+
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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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US Patent
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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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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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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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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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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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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
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