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Patent code US10676485

Compile Data Set for Download or QSAR
Found 106 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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451126
PNG
(US10676485, Example 36)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(NC[C@H]5COCCO5)nc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H51Cl2FN8O8S/c1-29-42-30(2)46(54)47(45(29)53)70-38(24-63-16-14-62(3)15-17-63)27-68-36-9-10-39(69-25-35-12-13-56-49(61-35)32-6-11-41(57-22-32)58-23-37-26-66-18-19-67-37)33(20-36)21-40(52(64)65)71-50-44-43(42)48(72-51(44)60-28-59-50)31-4-7-34(55)8-5-31/h4-13,20,22,28,37-38,40H,14-19,21,23-27H2,1-3H3,(H,57,58)(H,64,65)/t37-,38+,40+/m0/s1
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0.00100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451115
PNG
(US10676485, Example 25)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(OC[C@H]5COCCO5)n4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C47H47Cl2FN6O9S/c1-26-37-27(2)41(49)42(40(26)48)64-33(20-56-14-12-55(3)13-15-56)23-61-32-8-9-35(62-21-31-10-11-51-47(54-31)63-24-34-22-59-16-17-60-34)29(18-32)19-36(46(57)58)65-44-39-38(37)43(66-45(39)53-25-52-44)28-4-6-30(50)7-5-28/h4-11,18,25,33-34,36H,12-17,19-24H2,1-3H3,(H,57,58)/t33-,34-,36-/m1/s1
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0.00300n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451129
PNG
(US10676485, Example 39)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H58Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-9,12,15,22,30,34,39-40,42H,10-11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t34-,39-,40-,42-,54+/m1/s1
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0.00400n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451099
PNG
(US10676485, Example 9)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OC[C@H]4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H57Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-5,8-9,12-15,22,29,33,37,39-40,42H,6-7,10-11,16-21,23-28H2,1-3H3,(H,63,64)/t33-,37-,39-,40-,42-/m1/s1
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0.00500n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451104
PNG
(US10676485, Example 14)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H55Cl2FN6O9S/c1-29-42-30(2)46(54)47(45(29)53)69-38(22-61-18-16-60(3)17-19-61)25-66-37-12-13-40(67-23-35-14-15-56-49(59-35)32-6-10-36(11-7-32)65-26-39-24-64-28-68-39)33(20-37)21-41(52(62)63)70-50-44-43(42)48(71-51(44)58-27-57-50)31-4-8-34(55)9-5-31/h4-5,8-9,12-15,20,27,32,36,38-39,41H,6-7,10-11,16-19,21-26,28H2,1-3H3,(H,62,63)/t32-,36-,38-,39?,41-/m1/s1
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0.00600n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451117
PNG
(US10676485, Example 27)
Show SMILES COc1ccccc1-c1nccc(COc2ccc3OC[C@@H](CN4CCN(C)CC4)Oc4c(Cl)c(C)c(-c5c(sc6ncnc(O[C@H](Cc2c3)C(O)=O)c56)C2=COCCO2)c(C)c4Cl)n1
Show InChI InChI=1S/C47H46Cl2N6O9S/c1-26-37-27(2)41(49)42(40(26)48)63-31(21-55-15-13-54(3)14-16-55)23-61-30-9-10-33(62-22-29-11-12-50-44(53-29)32-7-5-6-8-34(32)58-4)28(19-30)20-35(47(56)57)64-45-39-38(37)43(36-24-59-17-18-60-36)65-46(39)52-25-51-45/h5-12,19,24-25,31,35H,13-18,20-23H2,1-4H3,(H,56,57)/t31-,35-/m1/s1
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0.00800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451131
PNG
(US10676485, Example 41)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(NC[C@@H]5COCCO5)nc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H51Cl2FN8O8S/c1-29-42-30(2)46(54)47(45(29)53)70-38(24-63-16-14-62(3)15-17-63)27-68-36-9-10-39(69-25-35-12-13-56-49(61-35)32-6-11-41(57-22-32)58-23-37-26-66-18-19-67-37)33(20-36)21-40(52(64)65)71-50-44-43(42)48(72-51(44)60-28-59-50)31-4-7-34(55)8-5-31/h4-13,20,22,28,37-38,40H,14-19,21,23-27H2,1-3H3,(H,57,58)(H,64,65)/t37-,38-,40-/m1/s1
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0.00900n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451141
PNG
(US10676485, Example 51)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@H](COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H59Cl2FN6O9S/c1-31-44-32(2)48(56)49(47(31)55)71-40(24-63-18-16-62(3)17-19-63)29-69-39-12-13-42(70-26-38-14-15-58-51(61-38)35-6-4-33(5-7-35)25-67-28-41-27-66-20-21-68-41)36(22-39)23-43(54(64)65)72-52-46-45(44)50(73-53(46)60-30-59-52)34-8-10-37(57)11-9-34/h8-15,22,30,33,35,40-41,43H,4-7,16-21,23-29H2,1-3H3,(H,64,65)/t33-,35-,40-,41-,43-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451142
PNG
(US10676485, Example 52)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OC[C@H]4COCCO4)c(C[C@@H](Oc4ncnc5sc(C6CCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C51H60Cl2N6O9S/c1-29-41-30(2)45(53)46(44(29)52)67-37(23-59-17-15-58(3)16-18-59)26-65-36-11-12-39(66-24-34-13-14-54-48(57-34)32-7-9-35(10-8-32)64-27-38-25-62-19-20-63-38)33(21-36)22-40(51(60)61)68-49-43-42(41)47(31-5-4-6-31)69-50(43)56-28-55-49/h11-14,21,28,31-32,35,37-38,40H,4-10,15-20,22-27H2,1-3H3,(H,60,61)/t32-,35-,37-,38-,40-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451139
PNG
(US10676485, Example 49)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@H](COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H59Cl2FN6O9S/c1-31-44-32(2)48(56)49(47(31)55)71-40(24-63-18-16-62(3)17-19-63)29-69-39-12-13-42(70-26-38-14-15-58-51(61-38)35-6-4-33(5-7-35)25-67-28-41-27-66-20-21-68-41)36(22-39)23-43(54(64)65)72-52-46-45(44)50(73-53(46)60-30-59-52)34-8-10-37(57)11-9-34/h8-15,22,30,33,35,40-41,43H,4-7,16-21,23-29H2,1-3H3,(H,64,65)/t33-,35-,40-,41+,43-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451119
PNG
(US10676485, Example 29)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCCO4)c(C[C@@H](Oc4ncnc5sc(C6CCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C51H60Cl2N6O9S/c1-29-41-30(2)45(53)46(44(29)52)67-37(23-59-17-15-58(3)16-18-59)26-65-36-11-12-39(66-24-34-13-14-54-48(57-34)32-7-9-35(10-8-32)64-27-38-25-62-19-20-63-38)33(21-36)22-40(51(60)61)68-49-43-42(41)47(31-5-4-6-31)69-50(43)56-28-55-49/h11-14,21,28,31-32,35,37-38,40H,4-10,15-20,22-27H2,1-3H3,(H,60,61)/t32-,35-,37-,38?,40-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451111
PNG
(US10676485, Example 21)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4cccc(OC[C@H]5COCCO5)c4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-17-15-61(3)16-18-62)27-67-38-11-12-41(69-25-36-13-14-57-50(60-36)33-5-4-6-37(21-33)68-28-40-26-65-19-20-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-7-9-35(56)10-8-32/h4-14,21-22,29,39-40,42H,15-20,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451135
PNG
(US10676485, Example 45)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H56Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-10,12,15,22,30,39-40,42H,11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t39-,40+,42-,54-/m1/s1
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0.0120n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451137
PNG
(US10676485, Example 47)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H58Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-9,12,15,22,30,34,39-40,42H,10-11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t34-,39-,40-,42-,54-/m1/s1
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0.0130n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451105
PNG
(US10676485, Example 15)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@@H]4CC[C@@H](CC4)OCC4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H57Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-5,8-9,12-15,22,29,33,37,39-40,42H,6-7,10-11,16-21,23-28H2,1-3H3,(H,63,64)/t33-,37+,39-,40?,42-/m1/s1
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0.0130n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451130
PNG
(US10676485, Example 40)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H56Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-10,12,15,22,30,39-40,42H,11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t39-,40-,42-,54-/m1/s1
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0.0140n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451120
PNG
(US10676485, Example 30)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4COCCOC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C47H47Cl2FN6O8S/c1-26-37-27(2)41(49)42(40(26)48)63-34(20-56-14-12-55(3)13-15-56)24-61-33-8-9-35(62-23-32-10-11-51-44(54-32)30-21-59-16-17-60-22-30)29(18-33)19-36(47(57)58)64-45-39-38(37)43(65-46(39)53-25-52-45)28-4-6-31(50)7-5-28/h4-11,18,25,30,34,36H,12-17,19-24H2,1-3H3,(H,57,58)/t34-,36-/m1/s1
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0.0150n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451112
PNG
(US10676485, Example 22)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4cccc(OC[C@@H]5COCCO5)c4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-17-15-61(3)16-18-62)27-67-38-11-12-41(69-25-36-13-14-57-50(60-36)33-5-4-6-37(21-33)68-28-40-26-65-19-20-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-7-9-35(56)10-8-32/h4-14,21-22,29,39-40,42H,15-20,23-28H2,1-3H3,(H,63,64)/t39-,40+,42-/m1/s1
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0.0160n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451118
PNG
(US10676485, Example 28)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H58Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-9,12,15,22,30,34,39-40,42H,10-11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t34-,39-,40+,42-,54+/m1/s1
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0.0170n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451132
PNG
(US10676485, Example 42)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H56Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-10,12,15,22,30,39-40,42H,11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t39-,40+,42-,54+/m1/s1
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0.0180n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451133
PNG
(US10676485, Example 43)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H56Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-10,12,15,22,30,39-40,42H,11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t39-,40-,42-,54+/m1/s1
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0.0200n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451134
PNG
(US10676485, Example 44)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OC[C@@H]4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H57Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-5,8-9,12-15,22,29,33,37,39-40,42H,6-7,10-11,16-21,23-28H2,1-3H3,(H,63,64)/t33-,37-,39-,40+,42-/m1/s1
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0.0200n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451117
PNG
(US10676485, Example 27)
Show SMILES COc1ccccc1-c1nccc(COc2ccc3OC[C@@H](CN4CCN(C)CC4)Oc4c(Cl)c(C)c(-c5c(sc6ncnc(O[C@H](Cc2c3)C(O)=O)c56)C2=COCCO2)c(C)c4Cl)n1
Show InChI InChI=1S/C47H46Cl2N6O9S/c1-26-37-27(2)41(49)42(40(26)48)63-31(21-55-15-13-54(3)14-16-55)23-61-30-9-10-33(62-22-29-11-12-50-44(53-29)32-7-5-6-8-34(32)58-4)28(19-30)20-35(47(56)57)64-45-39-38(37)43(36-24-59-17-18-60-36)65-46(39)52-25-51-45/h5-12,19,24-25,31,35H,13-18,20-23H2,1-4H3,(H,56,57)/t31-,35-/m1/s1
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0.0200n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451122
PNG
(US10676485, Example 32)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCCO4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H60Cl2N6O9S/c1-30-42-31(2)46(54)47(45(30)53)68-38(24-60-18-16-59(3)17-19-60)27-66-37-12-13-40(67-25-35-14-15-55-49(58-35)33-8-10-36(11-9-33)65-28-39-26-63-20-21-64-39)34(22-37)23-41(52(61)62)69-50-44-43(42)48(32-6-4-5-7-32)70-51(44)57-29-56-50/h6,12-15,22,29,33,36,38-39,41H,4-5,7-11,16-21,23-28H2,1-3H3,(H,61,62)/t33-,36-,38-,39?,41-/m1/s1
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0.0220n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451140
PNG
(US10676485, Example 50)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@@H]4CC[C@H](COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H59Cl2FN6O9S/c1-31-44-32(2)48(56)49(47(31)55)71-40(24-63-18-16-62(3)17-19-63)29-69-39-12-13-42(70-26-38-14-15-58-51(61-38)35-6-4-33(5-7-35)25-67-28-41-27-66-20-21-68-41)36(22-39)23-43(54(64)65)72-52-46-45(44)50(73-53(46)60-30-59-52)34-8-10-37(57)11-9-34/h8-15,22,30,33,35,40-41,43H,4-7,16-21,23-29H2,1-3H3,(H,64,65)/t33-,35+,40-,41-,43-/m1/s1
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0.0220n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451136
PNG
(US10676485, Example 46)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H58Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-9,12,15,22,30,34,39-40,42H,10-11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t34-,39-,40+,42-,54-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451123
PNG
(US10676485, Example 33)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H61Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-9,12,15,22,30,34,38-39,41H,4-5,7,10-11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t34-,38-,39+,41-,53+/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451138
PNG
(US10676485, Example 48)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H59Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-10,12,15,22,30,38-39,41H,4-5,7,11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t38-,39-,41-,53+/m1/s1
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0.0260n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451125
PNG
(US10676485, Example 35)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H59Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-10,12,15,22,30,38-39,41H,4-5,7,11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t38-,39+,41-,53-/m1/s1
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0.0270n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451124
PNG
(US10676485, Example 34)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H59Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-10,12,15,22,30,38-39,41H,4-5,7,11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t38-,39-,41-,53-/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451093
PNG
(US10676485, Example 3)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccccc4OC[C@H]4COC(C)(C)O4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H53Cl2FN6O9S/c1-30-43-31(2)47(56)48(46(30)55)70-37(24-63-20-18-62(5)19-21-63)26-66-36-14-15-40(67-25-35-16-17-58-50(61-35)39-8-6-7-9-41(39)68-27-38-28-69-54(3,4)72-38)33(22-36)23-42(53(64)65)71-51-45-44(43)49(73-52(45)60-29-59-51)32-10-12-34(57)13-11-32/h6-17,22,29,37-38,42H,18-21,23-28H2,1-5H3,(H,64,65)/t37-,38+,42-/m1/s1
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0.0330n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451097
PNG
(US10676485, Example 7)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-15,22,29,39-40,42H,16-21,23-28H2,1-3H3,(H,63,64)/t39-,40+,42-/m1/s1
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0.0360n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451128
PNG
(US10676485, Example 38)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H59Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-10,12,15,22,30,38-39,41H,4-5,7,11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t38-,39+,41-,53+/m1/s1
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0.0360n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451114
PNG
(US10676485, Example 24)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(OC[C@@H]5COCCO5)n4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C47H47Cl2FN6O9S/c1-26-37-27(2)41(49)42(40(26)48)64-33(20-56-14-12-55(3)13-15-56)23-61-32-8-9-35(62-21-31-10-11-51-47(54-31)63-24-34-22-59-16-17-60-34)29(18-32)19-36(46(57)58)65-44-39-38(37)43(66-45(39)53-25-52-44)28-4-6-30(50)7-5-28/h4-11,18,25,33-34,36H,12-17,19-24H2,1-3H3,(H,57,58)/t33-,34+,36-/m1/s1
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0.0380n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451091
PNG
(US10676485, Example 1)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@H]5COC(C)(C)O5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H53Cl2FN6O9S/c1-30-43-31(2)47(56)48(46(30)55)70-39(24-63-20-18-62(5)19-21-63)26-67-38-14-15-41(68-25-36-16-17-58-50(61-36)33-8-12-37(13-9-33)66-27-40-28-69-54(3,4)72-40)34(22-38)23-42(53(64)65)71-51-45-44(43)49(73-52(45)60-29-59-51)32-6-10-35(57)11-7-32/h6-17,22,29,39-40,42H,18-21,23-28H2,1-5H3,(H,64,65)/t39-,40+,42-/m1/s1
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0.0420n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451106
PNG
(US10676485, Example 16)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4cncc(n4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-44-31(2)48(55)49(47(30)54)70-39(24-62-16-14-61(3)15-17-62)27-68-38-12-13-42(69-25-36-22-57-23-41(60-36)32-6-10-37(11-7-32)67-28-40-26-65-18-19-66-40)34(20-38)21-43(53(63)64)71-51-46-45(44)50(72-52(46)59-29-58-51)33-4-8-35(56)9-5-33/h4-13,20,22-23,29,39-40,43H,14-19,21,24-28H2,1-3H3,(H,63,64)/t39-,40-,43-/m1/s1
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0.0480n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451095
PNG
(US10676485, Example 5)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@H]5COCCO5)nc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H50Cl2FN7O9S/c1-29-42-30(2)46(54)47(45(29)53)70-37(23-62-16-14-61(3)15-17-62)26-67-36-9-10-39(68-24-35-12-13-56-49(60-35)32-6-11-41(57-22-32)69-27-38-25-65-18-19-66-38)33(20-36)21-40(52(63)64)71-50-44-43(42)48(72-51(44)59-28-58-50)31-4-7-34(55)8-5-31/h4-13,20,22,28,37-38,40H,14-19,21,23-27H2,1-3H3,(H,63,64)/t37-,38-,40-/m1/s1
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0.0480n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451126
PNG
(US10676485, Example 36)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(NC[C@H]5COCCO5)nc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H51Cl2FN8O8S/c1-29-42-30(2)46(54)47(45(29)53)70-38(24-63-16-14-62(3)15-17-63)27-68-36-9-10-39(69-25-35-12-13-56-49(61-35)32-6-11-41(57-22-32)58-23-37-26-66-18-19-67-37)33(20-36)21-40(52(64)65)71-50-44-43(42)48(72-51(44)60-28-59-50)31-4-7-34(55)8-5-31/h4-13,20,22,28,37-38,40H,14-19,21,23-27H2,1-3H3,(H,57,58)(H,64,65)/t37-,38+,40+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451127
PNG
(US10676485, Example 37)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H61Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-9,12,15,22,30,34,38-39,41H,4-5,7,10-11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t34-,38-,39+,41-,53-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451092
PNG
(US10676485, Example 2)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-15,22,29,39-40,42H,16-21,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451094
PNG
(US10676485, Example 4)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6ccc(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C45H44ClFN6O8S/c1-26-33-8-10-35(40(26)46)60-32(21-53-15-13-52(2)14-16-53)23-58-31-7-9-34(59-22-30-11-12-48-42(51-30)37-24-56-17-18-57-37)28(19-31)20-36(45(54)55)61-43-39-38(33)41(62-44(39)50-25-49-43)27-3-5-29(47)6-4-27/h3-12,19,25,32,36-37H,13-18,20-24H2,1-2H3,(H,54,55)/t32-,36-,37?/m1/s1
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0.0550n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451110
PNG
(US10676485, Example 20)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CCO[C@@H](COCC5COCCO5)C4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H56Cl2FN7O10S/c1-30-42-31(2)46(54)47(45(30)53)71-38(22-61-14-12-60(3)13-15-61)28-69-36-8-9-40(70-24-35-10-11-56-52(59-35)62-16-17-67-37(23-62)25-66-27-39-26-65-18-19-68-39)33(20-36)21-41(51(63)64)72-49-44-43(42)48(73-50(44)58-29-57-49)32-4-6-34(55)7-5-32/h4-11,20,29,37-39,41H,12-19,21-28H2,1-3H3,(H,63,64)/t37-,38-,39?,41-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451129
PNG
(US10676485, Example 39)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H58Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-9,12,15,22,30,34,39-40,42H,10-11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t34-,39-,40-,42-,54+/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451102
PNG
(US10676485, Example 12)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CC(COC[C@H]5COCCO5)C4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C51H54Cl2FN7O9S/c1-29-41-30(2)45(53)46(44(29)52)69-37(22-60-14-12-59(3)13-15-60)27-67-36-8-9-39(68-24-35-10-11-55-51(58-35)61-20-31(21-61)23-65-26-38-25-64-16-17-66-38)33(18-36)19-40(50(62)63)70-48-43-42(41)47(71-49(43)57-28-56-48)32-4-6-34(54)7-5-32/h4-11,18,28,31,37-38,40H,12-17,19-27H2,1-3H3,(H,62,63)/t37-,38-,40-/m1/s1
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0.0760n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451103
PNG
(US10676485, Example 13)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CC(COC[C@@H]5COCCO5)C4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C51H54Cl2FN7O9S/c1-29-41-30(2)45(53)46(44(29)52)69-37(22-60-14-12-59(3)13-15-60)27-67-36-8-9-39(68-24-35-10-11-55-51(58-35)61-20-31(21-61)23-65-26-38-25-64-16-17-66-38)33(18-36)19-40(50(62)63)70-48-43-42(41)47(71-49(43)57-28-56-48)32-4-6-34(54)7-5-32/h4-11,18,28,31,37-38,40H,12-17,19-27H2,1-3H3,(H,62,63)/t37-,38+,40-/m1/s1
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0.0790n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451104
PNG
(US10676485, Example 14)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H55Cl2FN6O9S/c1-29-42-30(2)46(54)47(45(29)53)69-38(22-61-18-16-60(3)17-19-61)25-66-37-12-13-40(67-23-35-14-15-56-49(59-35)32-6-10-36(11-7-32)65-26-39-24-64-28-68-39)33(20-37)21-41(52(62)63)70-50-44-43(42)48(71-51(44)58-27-57-50)31-4-8-34(55)9-5-31/h4-5,8-9,12-15,20,27,32,36,38-39,41H,6-7,10-11,16-19,21-26,28H2,1-3H3,(H,62,63)/t32-,36-,38-,39?,41-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451107
PNG
(US10676485, Example 17)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(C6CCCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H58Cl2N6O9S/c1-31-43-32(2)47(55)48(46(31)54)69-39(25-61-19-17-60(3)18-20-61)28-67-38-13-14-41(68-26-36-15-16-56-50(59-36)34-9-11-37(12-10-34)66-29-40-27-64-21-22-65-40)35(23-38)24-42(53(62)63)70-51-45-44(43)49(33-7-5-4-6-8-33)71-52(45)58-30-57-51/h9-16,23,30,33,39-40,42H,4-8,17-22,24-29H2,1-3H3,(H,62,63)/t39-,40+,42-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451099
PNG
(US10676485, Example 9)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OC[C@H]4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H57Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-5,8-9,12-15,22,29,33,37,39-40,42H,6-7,10-11,16-21,23-28H2,1-3H3,(H,63,64)/t33-,37-,39-,40-,42-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451116
PNG
(US10676485, Example 26)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CCN(CC4)S(=O)(=O)CC4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C51H55Cl2FN8O10S2/c1-30-41-31(2)45(53)46(44(30)52)71-37(24-60-14-12-59(3)13-15-60)27-69-36-8-9-39(70-25-35-10-11-55-51(58-35)61-16-18-62(19-17-61)74(65,66)28-38-26-67-20-21-68-38)33(22-36)23-40(50(63)64)72-48-43-42(41)47(73-49(43)57-29-56-48)32-4-6-34(54)7-5-32/h4-11,22,29,37-38,40H,12-21,23-28H2,1-3H3,(H,63,64)/t37-,38?,40-/m1/s1
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0.104n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451108
PNG
(US10676485, Example 18)
Show SMILES COc1ccccc1-c1nccc(COc2ccc3OC[C@@H](CN4CCN(C)CC4)Oc4c(Cl)c(C)c(-c5c(C[C@@H]6COCCO6)sc6ncnc(O[C@H](Cc2c3)C(O)=O)c56)c(C)c4Cl)n1
Show InChI InChI=1S/C48H50Cl2N6O9S/c1-27-39-28(2)43(50)44(42(27)49)64-33(22-56-15-13-55(3)14-16-56)25-62-31-9-10-35(63-23-30-11-12-51-45(54-30)34-7-5-6-8-36(34)59-4)29(19-31)20-37(48(57)58)65-46-41-40(39)38(66-47(41)53-26-52-46)21-32-24-60-17-18-61-32/h5-12,19,26,32-33,37H,13-18,20-25H2,1-4H3,(H,57,58)/t32-,33-,37-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451139
PNG
(US10676485, Example 49)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@H](COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H59Cl2FN6O9S/c1-31-44-32(2)48(56)49(47(31)55)71-40(24-63-18-16-62(3)17-19-63)29-69-39-12-13-42(70-26-38-14-15-58-51(61-38)35-6-4-33(5-7-35)25-67-28-41-27-66-20-21-68-41)36(22-39)23-43(54(64)65)72-52-46-45(44)50(73-53(46)60-30-59-52)34-8-10-37(57)11-9-34/h8-15,22,30,33,35,40-41,43H,4-7,16-21,23-29H2,1-3H3,(H,64,65)/t33-,35-,40-,41+,43-/m1/s1
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0.128n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451141
PNG
(US10676485, Example 51)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@H](COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H59Cl2FN6O9S/c1-31-44-32(2)48(56)49(47(31)55)71-40(24-63-18-16-62(3)17-19-63)29-69-39-12-13-42(70-26-38-14-15-58-51(61-38)35-6-4-33(5-7-35)25-67-28-41-27-66-20-21-68-41)36(22-39)23-43(54(64)65)72-52-46-45(44)50(73-53(46)60-30-59-52)34-8-10-37(57)11-9-34/h8-15,22,30,33,35,40-41,43H,4-7,16-21,23-29H2,1-3H3,(H,64,65)/t33-,35-,40-,41-,43-/m1/s1
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0.131n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451131
PNG
(US10676485, Example 41)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(NC[C@@H]5COCCO5)nc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H51Cl2FN8O8S/c1-29-42-30(2)46(54)47(45(29)53)70-38(24-63-16-14-62(3)15-17-63)27-68-36-9-10-39(69-25-35-12-13-56-49(61-35)32-6-11-41(57-22-32)58-23-37-26-66-18-19-67-37)33(20-36)21-40(52(64)65)71-50-44-43(42)48(72-51(44)60-28-59-50)31-4-7-34(55)8-5-31/h4-13,20,22,28,37-38,40H,14-19,21,23-27H2,1-3H3,(H,57,58)(H,64,65)/t37-,38-,40-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451105
PNG
(US10676485, Example 15)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@@H]4CC[C@@H](CC4)OCC4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H57Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-5,8-9,12-15,22,29,33,37,39-40,42H,6-7,10-11,16-21,23-28H2,1-3H3,(H,63,64)/t33-,37+,39-,40?,42-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451109
PNG
(US10676485, Example 19)
Show SMILES COc1ccccc1-c1nccc(COc2ccc3OC[C@@H](CN4CCN(C)CC4)Oc4c(Cl)c(C)c(-c5c(C[C@H]6COCCO6)sc6ncnc(O[C@H](Cc2c3)C(O)=O)c56)c(C)c4Cl)n1
Show InChI InChI=1S/C48H50Cl2N6O9S/c1-27-39-28(2)43(50)44(42(27)49)64-33(22-56-15-13-55(3)14-16-56)25-62-31-9-10-35(63-23-30-11-12-51-45(54-30)34-7-5-6-8-36(34)59-4)29(19-31)20-37(48(57)58)65-46-41-40(39)38(66-47(41)53-26-52-46)21-32-24-60-17-18-61-32/h5-12,19,26,32-33,37H,13-18,20-25H2,1-4H3,(H,57,58)/t32-,33+,37+/m0/s1
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0.156n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451134
PNG
(US10676485, Example 44)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OC[C@@H]4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H57Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-5,8-9,12-15,22,29,33,37,39-40,42H,6-7,10-11,16-21,23-28H2,1-3H3,(H,63,64)/t33-,37-,39-,40+,42-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451135
PNG
(US10676485, Example 45)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H56Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-10,12,15,22,30,39-40,42H,11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t39-,40+,42-,54-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451120
PNG
(US10676485, Example 30)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4COCCOC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C47H47Cl2FN6O8S/c1-26-37-27(2)41(49)42(40(26)48)63-34(20-56-14-12-55(3)13-15-56)24-61-33-8-9-35(62-23-32-10-11-51-44(54-32)30-21-59-16-17-60-22-30)29(18-33)19-36(47(57)58)64-45-39-38(37)43(65-46(39)53-25-52-45)28-4-6-31(50)7-5-28/h4-11,18,25,30,34,36H,12-17,19-24H2,1-3H3,(H,57,58)/t34-,36-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451118
PNG
(US10676485, Example 28)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H58Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-9,12,15,22,30,34,39-40,42H,10-11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t34-,39-,40+,42-,54+/m1/s1
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0.180n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451133
PNG
(US10676485, Example 43)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H56Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-10,12,15,22,30,39-40,42H,11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t39-,40-,42-,54+/m1/s1
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0.180n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451101
PNG
(US10676485, Example 11)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4(COC[C@H]5COCCO5)CCC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H55Cl2FN6O9S/c1-30-41-31(2)45(54)46(44(30)53)69-37(23-61-17-15-60(3)16-18-61)27-67-36-9-10-39(68-24-35-11-14-56-51(59-35)52(12-4-13-52)28-65-26-38-25-64-19-20-66-38)33(21-36)22-40(50(62)63)70-48-43-42(41)47(71-49(43)58-29-57-48)32-5-7-34(55)8-6-32/h5-11,14,21,29,37-38,40H,4,12-13,15-20,22-28H2,1-3H3,(H,62,63)/t37-,38-,40-/m1/s1
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0.184n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451115
PNG
(US10676485, Example 25)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(OC[C@H]5COCCO5)n4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C47H47Cl2FN6O9S/c1-26-37-27(2)41(49)42(40(26)48)64-33(20-56-14-12-55(3)13-15-56)23-61-32-8-9-35(62-21-31-10-11-51-47(54-31)63-24-34-22-59-16-17-60-34)29(18-32)19-36(46(57)58)65-44-39-38(37)43(66-45(39)53-25-52-44)28-4-6-30(50)7-5-28/h4-11,18,25,33-34,36H,12-17,19-24H2,1-3H3,(H,57,58)/t33-,34-,36-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451098
PNG
(US10676485, Example 8)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CCC(F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H57Cl2F2N7O9S/c1-31-42-32(2)46(55)47(45(31)54)72-38(24-63-18-16-62(3)17-19-63)28-70-37-8-9-40(71-25-36-10-13-58-52(61-36)64-14-11-53(57,12-15-64)29-68-27-39-26-67-20-21-69-39)34(22-37)23-41(51(65)66)73-49-44-43(42)48(74-50(44)60-30-59-49)33-4-6-35(56)7-5-33/h4-10,13,22,30,38-39,41H,11-12,14-21,23-29H2,1-3H3,(H,65,66)/t38-,39+,41-/m1/s1
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0.194n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451136
PNG
(US10676485, Example 46)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H58Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-9,12,15,22,30,34,39-40,42H,10-11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t34-,39-,40+,42-,54-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451132
PNG
(US10676485, Example 42)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H56Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-10,12,15,22,30,39-40,42H,11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t39-,40+,42-,54+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451108
PNG
(US10676485, Example 18)
Show SMILES COc1ccccc1-c1nccc(COc2ccc3OC[C@@H](CN4CCN(C)CC4)Oc4c(Cl)c(C)c(-c5c(C[C@@H]6COCCO6)sc6ncnc(O[C@H](Cc2c3)C(O)=O)c56)c(C)c4Cl)n1
Show InChI InChI=1S/C48H50Cl2N6O9S/c1-27-39-28(2)43(50)44(42(27)49)64-33(22-56-15-13-55(3)14-16-56)25-62-31-9-10-35(63-23-30-11-12-51-45(54-30)34-7-5-6-8-36(34)59-4)29(19-31)20-37(48(57)58)65-46-41-40(39)38(66-47(41)53-26-52-46)21-32-24-60-17-18-61-32/h5-12,19,26,32-33,37H,13-18,20-25H2,1-4H3,(H,57,58)/t32-,33-,37-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451140
PNG
(US10676485, Example 50)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@@H]4CC[C@H](COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H59Cl2FN6O9S/c1-31-44-32(2)48(56)49(47(31)55)71-40(24-63-18-16-62(3)17-19-63)29-69-39-12-13-42(70-26-38-14-15-58-51(61-38)35-6-4-33(5-7-35)25-67-28-41-27-66-20-21-68-41)36(22-39)23-43(54(64)65)72-52-46-45(44)50(73-53(46)60-30-59-52)34-8-10-37(57)11-9-34/h8-15,22,30,33,35,40-41,43H,4-7,16-21,23-29H2,1-3H3,(H,64,65)/t33-,35+,40-,41-,43-/m1/s1
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0.249n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451122
PNG
(US10676485, Example 32)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCCO4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H60Cl2N6O9S/c1-30-42-31(2)46(54)47(45(30)53)68-38(24-60-18-16-59(3)17-19-60)27-66-37-12-13-40(67-25-35-14-15-55-49(58-35)33-8-10-36(11-9-33)65-28-39-26-63-20-21-64-39)34(22-37)23-41(52(61)62)69-50-44-43(42)48(32-6-4-5-7-32)70-51(44)57-29-56-50/h6,12-15,22,29,33,36,38-39,41H,4-5,7-11,16-21,23-28H2,1-3H3,(H,61,62)/t33-,36-,38-,39?,41-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451123
PNG
(US10676485, Example 33)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H61Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-9,12,15,22,30,34,38-39,41H,4-5,7,10-11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t34-,38-,39+,41-,53+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451094
PNG
(US10676485, Example 4)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6ccc(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C45H44ClFN6O8S/c1-26-33-8-10-35(40(26)46)60-32(21-53-15-13-52(2)14-16-53)23-58-31-7-9-34(59-22-30-11-12-48-42(51-30)37-24-56-17-18-57-37)28(19-31)20-36(45(54)55)61-43-39-38(33)41(62-44(39)50-25-49-43)27-3-5-29(47)6-4-27/h3-12,19,25,32,36-37H,13-18,20-24H2,1-2H3,(H,54,55)/t32-,36-,37?/m1/s1
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0.320n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451100
PNG
(US10676485, Example 10)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CCC(CC4)OC[C@H]4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H56Cl2FN7O9S/c1-30-42-31(2)46(54)47(45(30)53)70-38(24-61-18-16-60(3)17-19-61)27-68-37-8-9-40(69-25-35-10-13-56-52(59-35)62-14-11-36(12-15-62)67-28-39-26-65-20-21-66-39)33(22-37)23-41(51(63)64)71-49-44-43(42)48(72-50(44)58-29-57-49)32-4-6-34(55)7-5-32/h4-10,13,22,29,36,38-39,41H,11-12,14-21,23-28H2,1-3H3,(H,63,64)/t38-,39-,41-/m1/s1
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0.346n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451093
PNG
(US10676485, Example 3)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccccc4OC[C@H]4COC(C)(C)O4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H53Cl2FN6O9S/c1-30-43-31(2)47(56)48(46(30)55)70-37(24-63-20-18-62(5)19-21-63)26-66-36-14-15-40(67-25-35-16-17-58-50(61-35)39-8-6-7-9-41(39)68-27-38-28-69-54(3,4)72-38)33(22-36)23-42(53(64)65)71-51-45-44(43)49(73-52(45)60-29-59-51)32-10-12-34(57)13-11-32/h6-17,22,29,37-38,42H,18-21,23-28H2,1-5H3,(H,64,65)/t37-,38+,42-/m1/s1
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0.365n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451121
PNG
(US10676485, Example 31)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4cc(ncn4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-44-31(2)48(55)49(47(30)54)70-39(23-62-16-14-61(3)15-17-62)26-68-38-12-13-42(69-24-36-22-41(58-28-57-36)32-6-10-37(11-7-32)67-27-40-25-65-18-19-66-40)34(20-38)21-43(53(63)64)71-51-46-45(44)50(72-52(46)60-29-59-51)33-4-8-35(56)9-5-33/h4-13,20,22,28-29,39-40,43H,14-19,21,23-27H2,1-3H3,(H,63,64)/t39-,40-,43-/m1/s1
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0.373n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451114
PNG
(US10676485, Example 24)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(OC[C@@H]5COCCO5)n4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C47H47Cl2FN6O9S/c1-26-37-27(2)41(49)42(40(26)48)64-33(20-56-14-12-55(3)13-15-56)23-61-32-8-9-35(62-21-31-10-11-51-47(54-31)63-24-34-22-59-16-17-60-34)29(18-32)19-36(46(57)58)65-44-39-38(37)43(66-45(39)53-25-52-44)28-4-6-30(50)7-5-28/h4-11,18,25,33-34,36H,12-17,19-24H2,1-3H3,(H,57,58)/t33-,34+,36-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451110
PNG
(US10676485, Example 20)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CCO[C@@H](COCC5COCCO5)C4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H56Cl2FN7O10S/c1-30-42-31(2)46(54)47(45(30)53)71-38(22-61-14-12-60(3)13-15-61)28-69-36-8-9-40(70-24-35-10-11-56-52(59-35)62-16-17-67-37(23-62)25-66-27-39-26-65-18-19-68-39)33(20-36)21-41(51(63)64)72-49-44-43(42)48(73-50(44)58-29-57-49)32-4-6-34(55)7-5-32/h4-11,20,29,37-39,41H,12-19,21-28H2,1-3H3,(H,63,64)/t37-,38-,39?,41-/m1/s1
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0.470n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451125
PNG
(US10676485, Example 35)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H59Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-10,12,15,22,30,38-39,41H,4-5,7,11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t38-,39+,41-,53-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451137
PNG
(US10676485, Example 47)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H58Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-9,12,15,22,30,34,39-40,42H,10-11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t34-,39-,40-,42-,54-/m1/s1
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0.521n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451124
PNG
(US10676485, Example 34)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H59Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-10,12,15,22,30,38-39,41H,4-5,7,11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t38-,39-,41-,53-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451119
PNG
(US10676485, Example 29)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCCO4)c(C[C@@H](Oc4ncnc5sc(C6CCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C51H60Cl2N6O9S/c1-29-41-30(2)45(53)46(44(29)52)67-37(23-59-17-15-58(3)16-18-59)26-65-36-11-12-39(66-24-34-13-14-54-48(57-34)32-7-9-35(10-8-32)64-27-38-25-62-19-20-63-38)33(21-36)22-40(51(60)61)68-49-43-42(41)47(31-5-4-6-31)69-50(43)56-28-55-49/h11-14,21,28,31-32,35,37-38,40H,4-10,15-20,22-27H2,1-3H3,(H,60,61)/t32-,35-,37-,38?,40-/m1/s1
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0.550n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451091
PNG
(US10676485, Example 1)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@H]5COC(C)(C)O5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H53Cl2FN6O9S/c1-30-43-31(2)47(56)48(46(30)55)70-39(24-63-20-18-62(5)19-21-63)26-67-38-14-15-41(68-25-36-16-17-58-50(61-36)33-8-12-37(13-9-33)66-27-40-28-69-54(3,4)72-40)34(22-38)23-42(53(64)65)71-51-45-44(43)49(73-52(45)60-29-59-51)32-6-10-35(57)11-7-32/h6-17,22,29,39-40,42H,18-21,23-28H2,1-5H3,(H,64,65)/t39-,40+,42-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451102
PNG
(US10676485, Example 12)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CC(COC[C@H]5COCCO5)C4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C51H54Cl2FN7O9S/c1-29-41-30(2)45(53)46(44(29)52)69-37(22-60-14-12-59(3)13-15-60)27-67-36-8-9-39(68-24-35-10-11-55-51(58-35)61-20-31(21-61)23-65-26-38-25-64-16-17-66-38)33(18-36)19-40(50(62)63)70-48-43-42(41)47(71-49(43)57-28-56-48)32-4-6-34(54)7-5-32/h4-11,18,28,31,37-38,40H,12-17,19-27H2,1-3H3,(H,62,63)/t37-,38-,40-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451101
PNG
(US10676485, Example 11)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4(COC[C@H]5COCCO5)CCC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H55Cl2FN6O9S/c1-30-41-31(2)45(54)46(44(30)53)69-37(23-61-17-15-60(3)16-18-61)27-67-36-9-10-39(68-24-35-11-14-56-51(59-35)52(12-4-13-52)28-65-26-38-25-64-19-20-66-38)33(21-36)22-40(50(62)63)70-48-43-42(41)47(71-49(43)58-29-57-48)32-5-7-34(55)8-6-32/h5-11,14,21,29,37-38,40H,4,12-13,15-20,22-28H2,1-3H3,(H,62,63)/t37-,38-,40-/m1/s1
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0.620n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451128
PNG
(US10676485, Example 38)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H59Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-10,12,15,22,30,38-39,41H,4-5,7,11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t38-,39+,41-,53+/m1/s1
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0.630n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451130
PNG
(US10676485, Example 40)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C54H56Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-10,12,15,22,30,39-40,42H,11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t39-,40-,42-,54-/m1/s1
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0.630n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451127
PNG
(US10676485, Example 37)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H61Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-9,12,15,22,30,34,38-39,41H,4-5,7,10-11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t34-,38-,39+,41-,53-/m1/s1
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0.630n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451109
PNG
(US10676485, Example 19)
Show SMILES COc1ccccc1-c1nccc(COc2ccc3OC[C@@H](CN4CCN(C)CC4)Oc4c(Cl)c(C)c(-c5c(C[C@H]6COCCO6)sc6ncnc(O[C@H](Cc2c3)C(O)=O)c56)c(C)c4Cl)n1
Show InChI InChI=1S/C48H50Cl2N6O9S/c1-27-39-28(2)43(50)44(42(27)49)64-33(22-56-15-13-55(3)14-16-56)25-62-31-9-10-35(63-23-30-11-12-51-45(54-30)34-7-5-6-8-36(34)59-4)29(19-31)20-37(48(57)58)65-46-41-40(39)38(66-47(41)53-26-52-46)21-32-24-60-17-18-61-32/h5-12,19,26,32-33,37H,13-18,20-25H2,1-4H3,(H,57,58)/t32-,33+,37+/m0/s1
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0.640n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451138
PNG
(US10676485, Example 48)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H59Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-10,12,15,22,30,38-39,41H,4-5,7,11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t38-,39-,41-,53+/m1/s1
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0.648n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451095
PNG
(US10676485, Example 5)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@H]5COCCO5)nc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H50Cl2FN7O9S/c1-29-42-30(2)46(54)47(45(29)53)70-37(23-62-16-14-61(3)15-17-62)26-67-36-9-10-39(68-24-35-12-13-56-49(60-35)32-6-11-41(57-22-32)69-27-38-25-65-18-19-66-38)33(20-36)21-40(52(63)64)71-50-44-43(42)48(72-51(44)59-28-58-50)31-4-7-34(55)8-5-31/h4-13,20,22,28,37-38,40H,14-19,21,23-27H2,1-3H3,(H,63,64)/t37-,38-,40-/m1/s1
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0.710n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451142
PNG
(US10676485, Example 52)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OC[C@H]4COCCO4)c(C[C@@H](Oc4ncnc5sc(C6CCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C51H60Cl2N6O9S/c1-29-41-30(2)45(53)46(44(29)52)67-37(23-59-17-15-58(3)16-18-59)26-65-36-11-12-39(66-24-34-13-14-54-48(57-34)32-7-9-35(10-8-32)64-27-38-25-62-19-20-63-38)33(21-36)22-40(51(60)61)68-49-43-42(41)47(31-5-4-6-31)69-50(43)56-28-55-49/h11-14,21,28,31-32,35,37-38,40H,4-10,15-20,22-27H2,1-3H3,(H,60,61)/t32-,35-,37-,38-,40-/m1/s1
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0.720n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451106
PNG
(US10676485, Example 16)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4cncc(n4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-44-31(2)48(55)49(47(30)54)70-39(24-62-16-14-61(3)15-17-62)27-68-38-12-13-42(69-25-36-22-57-23-41(60-36)32-6-10-37(11-7-32)67-28-40-26-65-18-19-66-40)34(20-38)21-43(53(63)64)71-51-46-45(44)50(72-52(46)59-29-58-51)33-4-8-35(56)9-5-33/h4-13,20,22-23,29,39-40,43H,14-19,21,24-28H2,1-3H3,(H,63,64)/t39-,40-,43-/m1/s1
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0.830n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451112
PNG
(US10676485, Example 22)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4cccc(OC[C@@H]5COCCO5)c4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-17-15-61(3)16-18-62)27-67-38-11-12-41(69-25-36-13-14-57-50(60-36)33-5-4-6-37(21-33)68-28-40-26-65-19-20-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-7-9-35(56)10-8-32/h4-14,21-22,29,39-40,42H,15-20,23-28H2,1-3H3,(H,63,64)/t39-,40+,42-/m1/s1
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0.890n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451097
PNG
(US10676485, Example 7)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-15,22,29,39-40,42H,16-21,23-28H2,1-3H3,(H,63,64)/t39-,40+,42-/m1/s1
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0.920n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451096
PNG
(US10676485, Example 6)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@@H]5COCCO5)nc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H50Cl2FN7O9S/c1-29-42-30(2)46(54)47(45(29)53)70-37(23-62-16-14-61(3)15-17-62)26-67-36-9-10-39(68-24-35-12-13-56-49(60-35)32-6-11-41(57-22-32)69-27-38-25-65-18-19-66-38)33(20-36)21-40(52(63)64)71-50-44-43(42)48(72-51(44)59-28-58-50)31-4-7-34(55)8-5-31/h4-13,20,22,28,37-38,40H,14-19,21,23-27H2,1-3H3,(H,63,64)/t37-,38+,40-/m1/s1
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0.926n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451116
PNG
(US10676485, Example 26)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CCN(CC4)S(=O)(=O)CC4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C51H55Cl2FN8O10S2/c1-30-41-31(2)45(53)46(44(30)52)71-37(24-60-14-12-59(3)13-15-60)27-69-36-8-9-39(70-25-35-10-11-55-51(58-35)61-16-18-62(19-17-61)74(65,66)28-38-26-67-20-21-68-38)33(22-36)23-40(50(63)64)72-48-43-42(41)47(73-49(43)57-29-56-48)32-4-6-34(54)7-5-32/h4-11,22,29,37-38,40H,12-21,23-28H2,1-3H3,(H,63,64)/t37-,38?,40-/m1/s1
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1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451111
PNG
(US10676485, Example 21)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4cccc(OC[C@H]5COCCO5)c4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-17-15-61(3)16-18-62)27-67-38-11-12-41(69-25-36-13-14-57-50(60-36)33-5-4-6-37(21-33)68-28-40-26-65-19-20-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-7-9-35(56)10-8-32/h4-14,21-22,29,39-40,42H,15-20,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1
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1.01n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451092
PNG
(US10676485, Example 2)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-15,22,29,39-40,42H,16-21,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1
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1.04n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451103
PNG
(US10676485, Example 13)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CC(COC[C@@H]5COCCO5)C4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C51H54Cl2FN7O9S/c1-29-41-30(2)45(53)46(44(29)52)69-37(22-60-14-12-59(3)13-15-60)27-67-36-8-9-39(68-24-35-10-11-55-51(58-35)61-20-31(21-61)23-65-26-38-25-64-16-17-66-38)33(18-36)19-40(50(62)63)70-48-43-42(41)47(71-49(43)57-28-56-48)32-4-6-34(54)7-5-32/h4-11,18,28,31,37-38,40H,12-17,19-27H2,1-3H3,(H,62,63)/t37-,38+,40-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451098
PNG
(US10676485, Example 8)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CCC(F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H57Cl2F2N7O9S/c1-31-42-32(2)46(55)47(45(31)54)72-38(24-63-18-16-62(3)17-19-63)28-70-37-8-9-40(71-25-36-10-13-58-52(61-36)64-14-11-53(57,12-15-64)29-68-27-39-26-67-20-21-69-39)34(22-37)23-41(51(65)66)73-49-44-43(42)48(74-50(44)60-30-59-49)33-4-6-35(56)7-5-33/h4-10,13,22,30,38-39,41H,11-12,14-21,23-29H2,1-3H3,(H,65,66)/t38-,39+,41-/m1/s1
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2.27n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451100
PNG
(US10676485, Example 10)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CCC(CC4)OC[C@H]4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H56Cl2FN7O9S/c1-30-42-31(2)46(54)47(45(30)53)70-38(24-61-18-16-60(3)17-19-61)27-68-37-8-9-40(69-25-35-10-13-56-52(59-35)62-14-11-36(12-15-62)67-28-39-26-65-20-21-66-39)33(22-37)23-41(51(63)64)71-49-44-43(42)48(72-50(44)58-29-57-49)32-4-6-34(55)7-5-32/h4-10,13,22,29,36,38-39,41H,11-12,14-21,23-28H2,1-3H3,(H,63,64)/t38-,39-,41-/m1/s1
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3.07n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451107
PNG
(US10676485, Example 17)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(C6CCCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H58Cl2N6O9S/c1-31-43-32(2)47(55)48(46(31)54)69-39(25-61-19-17-60(3)18-20-61)28-67-38-13-14-41(68-26-36-15-16-56-50(59-36)34-9-11-37(12-10-34)66-29-40-27-64-21-22-65-40)35(23-38)24-42(53(62)63)70-51-45-44(43)49(33-7-5-4-6-8-33)71-52(45)58-30-57-51/h9-16,23,30,33,39-40,42H,4-8,17-22,24-29H2,1-3H3,(H,62,63)/t39-,40+,42-/m1/s1
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4.11n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451113
PNG
(US10676485, Example 23)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4nccc(n4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-44-31(2)48(55)49(47(30)54)70-38(24-62-18-16-61(3)17-19-62)26-68-37-12-13-41(69-28-43-57-15-14-40(60-43)32-6-10-36(11-7-32)67-27-39-25-65-20-21-66-39)34(22-37)23-42(53(63)64)71-51-46-45(44)50(72-52(46)59-29-58-51)33-4-8-35(56)9-5-33/h4-15,22,29,38-39,42H,16-21,23-28H2,1-3H3,(H,63,64)/t38-,39-,42-/m1/s1
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4.98n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451121
PNG
(US10676485, Example 31)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4cc(ncn4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-44-31(2)48(55)49(47(30)54)70-39(23-62-16-14-61(3)15-17-62)26-68-38-12-13-42(69-24-36-22-41(58-28-57-36)32-6-10-37(11-7-32)67-27-40-25-65-18-19-66-40)34(20-38)21-43(53(63)64)71-51-46-45(44)50(72-52(46)60-29-59-51)33-4-8-35(56)9-5-33/h4-13,20,22,28-29,39-40,43H,14-19,21,23-27H2,1-3H3,(H,63,64)/t39-,40-,43-/m1/s1
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5.27n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451096
PNG
(US10676485, Example 6)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@@H]5COCCO5)nc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C52H50Cl2FN7O9S/c1-29-42-30(2)46(54)47(45(29)53)70-37(23-62-16-14-61(3)15-17-62)26-67-36-9-10-39(68-24-35-12-13-56-49(60-35)32-6-11-41(57-22-32)69-27-38-25-65-18-19-66-38)33(20-36)21-40(52(63)64)71-50-44-43(42)48(72-51(44)59-28-58-50)31-4-7-34(55)8-5-31/h4-13,20,22,28,37-38,40H,14-19,21,23-27H2,1-3H3,(H,63,64)/t37-,38+,40-/m1/s1
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6.09n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451143
PNG
(US10676485, Example 53)
Show SMILES COc1ccccc1-c1ccc(OC[C@@H]2COCCO2)c(COc2ccc3OC[C@@H](CN4CCN(C)CC4)Oc4c(Cl)c(C)c(-c5c(sc6ncnc(O[C@H](Cc2c3)C(O)=O)c56)-c2ccc(F)cc2)c(C)c4Cl)n1
Show InChI InChI=1S/C55H54Cl2FN5O10S/c1-31-46-32(2)50(57)51(49(31)56)72-37(25-63-19-17-62(3)18-20-63)27-69-36-13-15-42(71-29-41-44(70-28-38-26-67-21-22-68-38)16-14-40(61-41)39-7-5-6-8-43(39)66-4)34(23-36)24-45(55(64)65)73-53-48-47(46)52(74-54(48)60-30-59-53)33-9-11-35(58)12-10-33/h5-16,23,30,37-38,45H,17-22,24-29H2,1-4H3,(H,64,65)/t37-,38+,45-/m1/s1
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13.7n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451113
PNG
(US10676485, Example 23)
Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4nccc(n4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1
Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-44-31(2)48(55)49(47(30)54)70-38(24-62-18-16-61(3)17-19-62)26-68-37-12-13-41(69-28-43-57-15-14-40(60-43)32-6-10-36(11-7-32)67-27-39-25-65-20-21-66-39)34(22-37)23-42(53(63)64)71-51-46-45(44)50(72-52(46)59-29-58-51)33-4-8-35(56)9-5-33/h4-15,22,29,38-39,42H,16-21,23-28H2,1-3H3,(H,63,64)/t38-,39-,42-/m1/s1
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41n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM451143
PNG
(US10676485, Example 53)
Show SMILES COc1ccccc1-c1ccc(OC[C@@H]2COCCO2)c(COc2ccc3OC[C@@H](CN4CCN(C)CC4)Oc4c(Cl)c(C)c(-c5c(sc6ncnc(O[C@H](Cc2c3)C(O)=O)c56)-c2ccc(F)cc2)c(C)c4Cl)n1
Show InChI InChI=1S/C55H54Cl2FN5O10S/c1-31-46-32(2)50(57)51(49(31)56)72-37(25-63-19-17-62(3)18-20-63)27-69-36-13-15-42(71-29-41-44(70-28-38-26-67-21-22-68-38)16-14-40(61-41)39-7-5-6-8-43(39)66-4)34(23-36)24-45(55(64)65)73-53-48-47(46)52(74-54(48)60-30-59-53)33-9-11-35(58)12-10-33/h5-16,23,30,37-38,45H,17-22,24-29H2,1-4H3,(H,64,65)/t37-,38+,45-/m1/s1
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114n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...


US Patent US10676485 (2020)

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