BindingDB logo
myBDB logout

Patent code US10946017

Compile Data Set for Download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485824
PNG
(US10946017, Compound 23)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1I)C(=O)C1CCC1
Show InChI InChI=1S/C52H72IN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent




US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485818
PNG
(US10946017, Compound 20)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Cl)C(=O)C1CCC1
Show InChI InChI=1S/C52H72ClN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent




US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485844
PNG
(US10946017, Compound 11DC50:)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Br)C(=O)C1CCC1
Show InChI InChI=1S/C52H72BrN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent




US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485821
PNG
(US10946017, Compound 21)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C(F)(F)F)C(=O)C1CCC1
Show InChI InChI=1S/C53H72F3N9O9S/c1-35-45(75-34-60-35)37-15-13-36(14-16-37)30-58-48(68)43-29-40(66)32-65(43)50(70)46(52(2,3)4)62-44(67)33-73-27-9-25-71-23-6-7-24-72-26-10-28-74-41-19-17-39(18-20-41)61-51-59-31-42(53(54,55)56)47(63-51)57-21-22-64(5)49(69)38-11-8-12-38/h13-20,31,34,38,40,43,46,66H,6-12,21-30,32-33H2,1-5H3,(H,58,68)(H,62,67)(H2,57,59,61,63)/t40-,43+,46-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/a 29n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent




US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485830
PNG
(US10946017, Compound 27)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1CC=C)C(=O)C1CCC1
Show InChI InChI=1S/C55H77N9O9S/c1-7-13-42-34-58-54(62-50(42)56-24-25-63(6)52(68)41-14-10-15-41)60-43-20-22-45(23-21-43)73-31-12-29-71-27-9-8-26-70-28-11-30-72-36-47(66)61-49(55(3,4)5)53(69)64-35-44(65)32-46(64)51(67)57-33-39-16-18-40(19-17-39)48-38(2)59-37-74-48/h7,16-23,34,37,41,44,46,49,65H,1,8-15,24-33,35-36H2,2-6H3,(H,57,67)(H,61,66)(H2,56,58,60,62)/t44-,46+,49-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/a 48n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent




US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485831
PNG
(US10946017, Compound 28)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C1CC1)C(=O)C1CCC1
Show InChI InChI=1S/C55H77N9O9S/c1-37-48(74-36-59-37)40-15-13-38(14-16-40)32-57-51(67)46-31-43(65)34-64(46)53(69)49(55(2,3)4)61-47(66)35-72-29-9-27-70-25-6-7-26-71-28-10-30-73-44-21-19-42(20-22-44)60-54-58-33-45(39-17-18-39)50(62-54)56-23-24-63(5)52(68)41-11-8-12-41/h13-16,19-22,33,36,39,41,43,46,49,65H,6-12,17-18,23-32,34-35H2,1-5H3,(H,57,67)(H,61,66)(H2,56,58,60,62)/t43-,46+,49-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/a 65n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent




US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485827
PNG
(US10946017, Compound 25)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C)C(=O)C1CCC1
Show InChI InChI=1S/C53H75N9O9S/c1-36-31-56-52(60-48(36)54-22-23-61(6)50(66)40-12-9-13-40)58-41-18-20-43(21-19-41)71-29-11-27-69-25-8-7-24-68-26-10-28-70-34-45(64)59-47(53(3,4)5)51(67)62-33-42(63)30-44(62)49(65)55-32-38-14-16-39(17-15-38)46-37(2)57-35-72-46/h14-21,31,35,40,42,44,47,63H,7-13,22-30,32-34H2,1-6H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t42-,44+,47-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/a 92n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent




US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485828
PNG
(US10946017, Compound 26)
Show SMILES CCc1cnc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)nc1NCCN(C)C(=O)C1CCC1
Show InChI InChI=1S/C54H77N9O9S/c1-7-39-33-57-53(61-49(39)55-23-24-62(6)51(67)41-13-10-14-41)59-42-19-21-44(22-20-42)72-30-12-28-70-26-9-8-25-69-27-11-29-71-35-46(65)60-48(54(3,4)5)52(68)63-34-43(64)31-45(63)50(66)56-32-38-15-17-40(18-16-38)47-37(2)58-36-73-47/h15-22,33,36,41,43,45,48,64H,7-14,23-32,34-35H2,1-6H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t43-,45+,48-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/a 121n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent




US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485825
PNG
(US10946017, Compound 24)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1F)C(=O)C1CCC1
Show InChI InChI=1S/C52H72FN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/a 282n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent




US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485823
PNG
(US10946017, Compound 22)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C1CCC1)C(=O)C1CCC1
Show InChI InChI=1S/C56H79N9O9S/c1-38-49(75-37-60-38)41-18-16-39(17-19-41)33-58-52(68)47-32-44(66)35-65(47)54(70)50(56(2,3)4)62-48(67)36-73-30-10-28-71-26-6-7-27-72-29-11-31-74-45-22-20-43(21-23-45)61-55-59-34-46(40-12-8-13-40)51(63-55)57-24-25-64(5)53(69)42-14-9-15-42/h16-23,34,37,40,42,44,47,50,66H,6-15,24-33,35-36H2,1-5H3,(H,58,68)(H,62,67)(H2,57,59,61,63)/t44-,47+,50-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/a 544n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent




US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485817
PNG
(US10946017, Compound 19)
Show SMILES CN(CCNc1ccnc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)n1)C(=O)C1CCC1
Show InChI InChI=1S/C52H73N9O9S/c1-36-46(71-35-56-36)38-15-13-37(14-16-38)32-55-48(64)43-31-41(62)33-61(43)50(66)47(52(2,3)4)59-45(63)34-69-29-9-27-67-25-6-7-26-68-28-10-30-70-42-19-17-40(18-20-42)57-51-54-22-21-44(58-51)53-23-24-60(5)49(65)39-11-8-12-39/h13-22,35,39,41,43,47,62H,6-12,23-34H2,1-5H3,(H,55,64)(H,59,63)(H2,53,54,57,58)/t41-,43+,47-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent




US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485844
PNG
(US10946017, Compound 11DC50:)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Br)C(=O)C1CCC1
Show InChI InChI=1S/C52H72BrN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/an/a 4.60n/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent


Assay Description
In vitro degradation assay protocol for compounds 3-33: Panc02.13 cells were purchased from ATCC and cultured in RPMI-1640 (Gibco), supplemented with...


US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485818
PNG
(US10946017, Compound 20)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Cl)C(=O)C1CCC1
Show InChI InChI=1S/C52H72ClN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/an/a 10.4n/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent


Assay Description
In vitro degradation assay protocol for compounds 3-33: Panc02.13 cells were purchased from ATCC and cultured in RPMI-1640 (Gibco), supplemented with...


US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485830
PNG
(US10946017, Compound 27)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1CC=C)C(=O)C1CCC1
Show InChI InChI=1S/C55H77N9O9S/c1-7-13-42-34-58-54(62-50(42)56-24-25-63(6)52(68)41-14-10-15-41)60-43-20-22-45(23-21-43)73-31-12-29-71-27-9-8-26-70-28-11-30-72-36-47(66)61-49(55(3,4)5)53(69)64-35-44(65)32-46(64)51(67)57-33-39-16-18-40(19-17-39)48-38(2)59-37-74-48/h7,16-23,34,37,41,44,46,49,65H,1,8-15,24-33,35-36H2,2-6H3,(H,57,67)(H,61,66)(H2,56,58,60,62)/t44-,46+,49-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/an/a 130n/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent


Assay Description
In vitro degradation assay protocol for compounds 3-33: Panc02.13 cells were purchased from ATCC and cultured in RPMI-1640 (Gibco), supplemented with...


US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485825
PNG
(US10946017, Compound 24)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1F)C(=O)C1CCC1
Show InChI InChI=1S/C52H72FN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/an/a 104n/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent


Assay Description
In vitro degradation assay protocol for compounds 3-33: Panc02.13 cells were purchased from ATCC and cultured in RPMI-1640 (Gibco), supplemented with...


US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485831
PNG
(US10946017, Compound 28)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C1CC1)C(=O)C1CCC1
Show InChI InChI=1S/C55H77N9O9S/c1-37-48(74-36-59-37)40-15-13-38(14-16-40)32-57-51(67)46-31-43(65)34-64(46)53(69)49(55(2,3)4)61-47(66)35-72-29-9-27-70-25-6-7-26-71-28-10-30-73-44-21-19-42(20-22-44)60-54-58-33-45(39-17-18-39)50(62-54)56-23-24-63(5)52(68)41-11-8-12-41/h13-16,19-22,33,36,39,41,43,46,49,65H,6-12,17-18,23-32,34-35H2,1-5H3,(H,57,67)(H,61,66)(H2,56,58,60,62)/t43-,46+,49-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/an/a 245n/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent


Assay Description
In vitro degradation assay protocol for compounds 3-33: Panc02.13 cells were purchased from ATCC and cultured in RPMI-1640 (Gibco), supplemented with...


US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485828
PNG
(US10946017, Compound 26)
Show SMILES CCc1cnc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)nc1NCCN(C)C(=O)C1CCC1
Show InChI InChI=1S/C54H77N9O9S/c1-7-39-33-57-53(61-49(39)55-23-24-62(6)51(67)41-13-10-14-41)59-42-19-21-44(22-20-42)72-30-12-28-70-26-9-8-25-69-27-11-29-71-35-46(65)60-48(54(3,4)5)52(68)63-34-43(64)31-45(63)50(66)56-32-38-15-17-40(18-16-38)47-37(2)58-36-73-47/h15-22,33,36,41,43,45,48,64H,7-14,23-32,34-35H2,1-6H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t43-,45+,48-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/an/a 275n/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent


Assay Description
In vitro degradation assay protocol for compounds 3-33: Panc02.13 cells were purchased from ATCC and cultured in RPMI-1640 (Gibco), supplemented with...


US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485824
PNG
(US10946017, Compound 23)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1I)C(=O)C1CCC1
Show InChI InChI=1S/C52H72IN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/an/a 4n/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent


Assay Description
In vitro degradation assay protocol for compounds 3-33: Panc02.13 cells were purchased from ATCC and cultured in RPMI-1640 (Gibco), supplemented with...


US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485827
PNG
(US10946017, Compound 25)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C)C(=O)C1CCC1
Show InChI InChI=1S/C53H75N9O9S/c1-36-31-56-52(60-48(36)54-22-23-61(6)50(66)40-12-9-13-40)58-41-18-20-43(21-19-41)71-29-11-27-69-25-8-7-24-68-26-10-28-70-34-45(64)59-47(53(3,4)5)51(67)62-33-42(63)30-44(62)49(65)55-32-38-14-16-39(17-15-38)46-37(2)57-35-72-46/h14-21,31,35,40,42,44,47,63H,7-13,22-30,32-34H2,1-6H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t42-,44+,47-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/an/a 270n/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent


Assay Description
In vitro degradation assay protocol for compounds 3-33: Panc02.13 cells were purchased from ATCC and cultured in RPMI-1640 (Gibco), supplemented with...


US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485821
PNG
(US10946017, Compound 21)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C(F)(F)F)C(=O)C1CCC1
Show InChI InChI=1S/C53H72F3N9O9S/c1-35-45(75-34-60-35)37-15-13-36(14-16-37)30-58-48(68)43-29-40(66)32-65(43)50(70)46(52(2,3)4)62-44(67)33-73-27-9-25-71-23-6-7-24-72-26-10-28-74-41-19-17-39(18-20-41)61-51-59-31-42(53(54,55)56)47(63-51)57-21-22-64(5)49(69)38-11-8-12-38/h13-20,31,34,38,40,43,46,66H,6-12,21-30,32-33H2,1-5H3,(H,58,68)(H,62,67)(H2,57,59,61,63)/t40-,43+,46-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/an/a 13n/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent


Assay Description
In vitro degradation assay protocol for compounds 3-33: Panc02.13 cells were purchased from ATCC and cultured in RPMI-1640 (Gibco), supplemented with...


US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485823
PNG
(US10946017, Compound 22)
Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C1CCC1)C(=O)C1CCC1
Show InChI InChI=1S/C56H79N9O9S/c1-38-49(75-37-60-38)41-18-16-39(17-19-41)33-58-52(68)47-32-44(66)35-65(47)54(70)50(56(2,3)4)62-48(67)36-73-30-10-28-71-26-6-7-27-72-29-11-31-74-45-22-20-43(21-23-45)61-55-59-34-46(40-12-8-13-40)51(63-55)57-24-25-64(5)53(69)42-14-9-15-42/h16-23,34,37,40,42,44,47,50,66H,6-15,24-33,35-36H2,1-5H3,(H,58,68)(H,62,67)(H2,57,59,61,63)/t44-,47+,50-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/an/a 1.04E+3n/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent


Assay Description
In vitro degradation assay protocol for compounds 3-33: Panc02.13 cells were purchased from ATCC and cultured in RPMI-1640 (Gibco), supplemented with...


US Patent US10946017 (2021)

More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM485817
PNG
(US10946017, Compound 19)
Show SMILES CN(CCNc1ccnc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)n1)C(=O)C1CCC1
Show InChI InChI=1S/C52H73N9O9S/c1-36-46(71-35-56-36)38-15-13-37(14-16-38)32-55-48(64)43-31-41(62)33-61(43)50(66)47(52(2,3)4)59-45(63)34-69-29-9-27-67-25-6-7-26-68-28-10-30-70-42-19-17-40(18-20-42)57-51-54-22-21-44(58-51)53-23-24-60(5)49(65)39-11-8-12-39/h13-22,35,39,41,43,47,62H,6-12,23-34H2,1-5H3,(H,55,64)(H,59,63)(H2,53,54,57,58)/t41-,43+,47-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
n/an/an/a 725n/an/an/an/an/a



ARVINAS OPERATIONS, INC.

US Patent


Assay Description
In vitro degradation assay protocol for compounds 3-33: Panc02.13 cells were purchased from ATCC and cultured in RPMI-1640 (Gibco), supplemented with...


US Patent US10946017 (2021)

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