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Patent code US9345740

Compile Data Set for Download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
E3 ubiquitin-protein ligase XIAP


(Mus musculus (Mouse))
BDBM228611
PNG
(US9345740, 8)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(cc1)C#CC(=O)NC1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C57H77N9O7Si/c1-35(58-6)51(68)63-46(55(72)66-34-74(8,9)33-48(66)54(71)62-45-23-15-19-40-17-11-13-21-43(40)45)30-38-26-24-37(25-27-38)28-29-49(67)60-41-31-47(53(70)61-44-22-14-18-39-16-10-12-20-42(39)44)65(32-41)56(73)50(57(3,4)5)64-52(69)36(2)59-7/h10-13,16-17,20-21,24-27,35-36,41,44-48,50,58-59H,14-15,18-19,22-23,30-34H2,1-9H3,(H,60,67)(H,61,70)(H,62,71)(H,63,68)(H,64,69)/t35-,36-,41?,44?,45?,46?,47-,48-,50+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIAP)...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (C202A)(C213G)


(Mus musculus (Mouse))
BDBM228607
PNG
(US9345740, 4)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N[C@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C62H82N10O8Si/c1-37(63-6)54(73)69-50(60(79)72-36-81(8,9)35-52(72)59(78)68-49-23-15-19-41-17-11-13-21-47(41)49)32-39-24-26-42(27-25-39)56(75)65-44-30-28-43(29-31-44)57(76)66-45-33-51(58(77)67-48-22-14-18-40-16-10-12-20-46(40)48)71(34-45)61(80)53(62(3,4)5)70-55(74)38(2)64-7/h10-13,16-17,20-21,24-31,37-38,45,48-53,63-64H,14-15,18-19,22-23,32-36H2,1-9H3,(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,73)(H,70,74)/t37-,38-,45-,48?,49?,50?,51-,52-,53+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C20...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (C202A)(C213G)


(Mus musculus (Mouse))
BDBM228604
PNG
(US9345740, 1)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(NC(=O)c2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C62H82N10O8Si/c1-37(63-6)54(73)69-50(60(79)72-36-81(8,9)35-52(72)59(78)68-49-23-15-19-41-17-11-13-21-47(41)49)32-39-24-30-44(31-25-39)65-56(75)42-26-28-43(29-27-42)57(76)66-45-33-51(58(77)67-48-22-14-18-40-16-10-12-20-46(40)48)71(34-45)61(80)53(62(3,4)5)70-55(74)38(2)64-7/h10-13,16-17,20-21,24-31,37-38,45,48-53,63-64H,14-15,18-19,22-23,32-36H2,1-9H3,(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,73)(H,70,74)/t37-,38-,45-,48?,49?,50?,51-,52-,53+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C20...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (C202A)(C213G)


(Mus musculus (Mouse))
BDBM228611
PNG
(US9345740, 8)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(cc1)C#CC(=O)NC1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C57H77N9O7Si/c1-35(58-6)51(68)63-46(55(72)66-34-74(8,9)33-48(66)54(71)62-45-23-15-19-40-17-11-13-21-43(40)45)30-38-26-24-37(25-27-38)28-29-49(67)60-41-31-47(53(70)61-44-22-14-18-39-16-10-12-20-42(39)44)65(32-41)56(73)50(57(3,4)5)64-52(69)36(2)59-7/h10-13,16-17,20-21,24-27,35-36,41,44-48,50,58-59H,14-15,18-19,22-23,30-34H2,1-9H3,(H,60,67)(H,61,70)(H,62,71)(H,63,68)(H,64,69)/t35-,36-,41?,44?,45?,46?,47-,48-,50+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C20...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (C202A)(C213G)


(Mus musculus (Mouse))
BDBM228613
PNG
(US9345740, 10)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)C(=O)N[C@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C55H77N9O7Si/c1-33(56-6)48(65)61-44(53(70)64-32-72(8,9)31-46(64)52(69)60-43-23-15-19-37-17-11-13-21-41(37)43)28-35-24-26-38(27-25-35)50(67)58-39-29-45(51(68)59-42-22-14-18-36-16-10-12-20-40(36)42)63(30-39)54(71)47(55(3,4)5)62-49(66)34(2)57-7/h10-13,16-17,20-21,24-27,33-34,39,42-47,56-57H,14-15,18-19,22-23,28-32H2,1-9H3,(H,58,67)(H,59,68)(H,60,69)(H,61,65)(H,62,66)/t33-,34-,39-,42+,43+,44-,45-,46-,47+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C20...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (C202A)(C213G)


(Mus musculus (Mouse))
BDBM228606
PNG
(US9345740, 3)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(NC(=O)c2ccc(CO[C@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)cc2)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C62H83N9O8Si/c1-38(63-6)55(72)68-51(60(77)71-37-80(8,9)36-53(71)59(76)67-50-23-15-19-43-17-11-13-21-48(43)50)32-40-26-30-45(31-27-40)65-57(74)44-28-24-41(25-29-44)35-79-46-33-52(58(75)66-49-22-14-18-42-16-10-12-20-47(42)49)70(34-46)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h10-13,16-17,20-21,24-31,38-39,46,49-54,63-64H,14-15,18-19,22-23,32-37H2,1-9H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,46-,49?,50?,51?,52-,53-,54+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C20...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (C202A)(C213G)


(Mus musculus (Mouse))
BDBM228605
PNG
(US9345740, 2)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(NC(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C55H78N10O7Si/c1-33(56-6)48(66)62-44(52(70)65-32-73(8,9)31-46(65)51(69)61-43-23-15-19-37-17-11-13-21-41(37)43)28-35-24-26-38(27-25-35)58-54(72)59-39-29-45(50(68)60-42-22-14-18-36-16-10-12-20-40(36)42)64(30-39)53(71)47(55(3,4)5)63-49(67)34(2)57-7/h10-13,16-17,20-21,24-27,33-34,39,42-47,56-57H,14-15,18-19,22-23,28-32H2,1-9H3,(H,60,68)(H,61,69)(H,62,66)(H,63,67)(H2,58,59,72)/t33-,34-,39?,42+,43?,44-,45-,46-,47+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C20...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (C202A)(C213G)


(Mus musculus (Mouse))
BDBM228614
PNG
(US9345740, 11)
Show SMILES CC[C@H](NC)C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C63H84N10O8Si/c1-10-48(65-7)58(77)70-51(61(80)73-37-82(8,9)36-53(73)60(79)69-50-24-16-20-41-18-12-14-22-47(41)50)33-39-25-31-44(32-26-39)66-56(75)42-27-29-43(30-28-42)57(76)67-45-34-52(59(78)68-49-23-15-19-40-17-11-13-21-46(40)49)72(35-45)62(81)54(63(3,4)5)71-55(74)38(2)64-6/h11-14,17-18,21-22,25-32,38,45,48-54,64-65H,10,15-16,19-20,23-24,33-37H2,1-9H3,(H,66,75)(H,67,76)(H,68,78)(H,69,79)(H,70,77)(H,71,74)/t38-,45-,48-,49+,50+,51-,52-,53-,54+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C20...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Mus musculus (Mouse))
BDBM228613
PNG
(US9345740, 10)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)C(=O)N[C@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C55H77N9O7Si/c1-33(56-6)48(65)61-44(53(70)64-32-72(8,9)31-46(64)52(69)60-43-23-15-19-37-17-11-13-21-41(37)43)28-35-24-26-38(27-25-35)50(67)58-39-29-45(51(68)59-42-22-14-18-36-16-10-12-20-40(36)42)63(30-39)54(71)47(55(3,4)5)62-49(66)34(2)57-7/h10-13,16-17,20-21,24-27,33-34,39,42-47,56-57H,14-15,18-19,22-23,28-32H2,1-9H3,(H,58,67)(H,59,68)(H,60,69)(H,61,65)(H,62,66)/t33-,34-,39-,42+,43+,44-,45-,46-,47+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIAP)...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (C202A)(C213G)


(Mus musculus (Mouse))
BDBM228612
PNG
(US9345740, 9)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](C)c2ccccc2F)C(=O)[C@@H]2C[Si](C)(C)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C
Show InChI InChI=1S/C57H82FN9O7Si/c1-34(59-10)49(68)63-47(56(4,5)6)54(73)66-31-40(29-45(66)52(71)62-44-24-18-20-38-19-14-15-22-42(38)44)61-51(70)39-27-25-37(26-28-39)30-65(36(3)41-21-16-17-23-43(41)58)53(72)46-32-75(12,13)33-67(46)55(74)48(57(7,8)9)64-50(69)35(2)60-11/h14-17,19,21-23,25-28,34-36,40,44-48,59-60H,18,20,24,29-33H2,1-13H3,(H,61,70)(H,62,71)(H,63,68)(H,64,69)/t34-,35-,36+,40?,44?,45-,46-,47+,48+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C20...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Mus musculus (Mouse))
BDBM228604
PNG
(US9345740, 1)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(NC(=O)c2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C62H82N10O8Si/c1-37(63-6)54(73)69-50(60(79)72-36-81(8,9)35-52(72)59(78)68-49-23-15-19-41-17-11-13-21-47(41)49)32-39-24-30-44(31-25-39)65-56(75)42-26-28-43(29-27-42)57(76)66-45-33-51(58(77)67-48-22-14-18-40-16-10-12-20-46(40)48)71(34-45)61(80)53(62(3,4)5)70-55(74)38(2)64-7/h10-13,16-17,20-21,24-31,37-38,45,48-53,63-64H,14-15,18-19,22-23,32-36H2,1-9H3,(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,73)(H,70,74)/t37-,38-,45-,48?,49?,50?,51-,52-,53+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIAP)...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Mus musculus (Mouse))
BDBM228606
PNG
(US9345740, 3)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(NC(=O)c2ccc(CO[C@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)cc2)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C62H83N9O8Si/c1-38(63-6)55(72)68-51(60(77)71-37-80(8,9)36-53(71)59(76)67-50-23-15-19-43-17-11-13-21-48(43)50)32-40-26-30-45(31-27-40)65-57(74)44-28-24-41(25-29-44)35-79-46-33-52(58(75)66-49-22-14-18-42-16-10-12-20-47(42)49)70(34-46)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h10-13,16-17,20-21,24-31,38-39,46,49-54,63-64H,14-15,18-19,22-23,32-37H2,1-9H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,46-,49?,50?,51?,52-,53-,54+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIAP)...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Mus musculus (Mouse))
BDBM228607
PNG
(US9345740, 4)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N[C@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C62H82N10O8Si/c1-37(63-6)54(73)69-50(60(79)72-36-81(8,9)35-52(72)59(78)68-49-23-15-19-41-17-11-13-21-47(41)49)32-39-24-26-42(27-25-39)56(75)65-44-30-28-43(29-31-44)57(76)66-45-33-51(58(77)67-48-22-14-18-40-16-10-12-20-46(40)48)71(34-45)61(80)53(62(3,4)5)70-55(74)38(2)64-7/h10-13,16-17,20-21,24-31,37-38,45,48-53,63-64H,14-15,18-19,22-23,32-36H2,1-9H3,(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,73)(H,70,74)/t37-,38-,45-,48?,49?,50?,51-,52-,53+/m0/s1
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIAP)...


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More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Mus musculus (Mouse))
BDBM228605
PNG
(US9345740, 2)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(NC(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C55H78N10O7Si/c1-33(56-6)48(66)62-44(52(70)65-32-73(8,9)31-46(65)51(69)61-43-23-15-19-37-17-11-13-21-41(37)43)28-35-24-26-38(27-25-35)58-54(72)59-39-29-45(50(68)60-42-22-14-18-36-16-10-12-20-40(36)42)64(30-39)53(71)47(55(3,4)5)63-49(67)34(2)57-7/h10-13,16-17,20-21,24-27,33-34,39,42-47,56-57H,14-15,18-19,22-23,28-32H2,1-9H3,(H,60,68)(H,61,69)(H,62,66)(H,63,67)(H2,58,59,72)/t33-,34-,39?,42+,43?,44-,45-,46-,47+/m0/s1
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIAP)...


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More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Mus musculus (Mouse))
BDBM228614
PNG
(US9345740, 11)
Show SMILES CC[C@H](NC)C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C63H84N10O8Si/c1-10-48(65-7)58(77)70-51(61(80)73-37-82(8,9)36-53(73)60(79)69-50-24-16-20-41-18-12-14-22-47(41)50)33-39-25-31-44(32-26-39)66-56(75)42-27-29-43(30-28-42)57(76)67-45-34-52(59(78)68-49-23-15-19-40-17-11-13-21-46(40)49)72(35-45)62(81)54(63(3,4)5)71-55(74)38(2)64-6/h11-14,17-18,21-22,25-32,38,45,48-54,64-65H,10,15-16,19-20,23-24,33-37H2,1-9H3,(H,66,75)(H,67,76)(H,68,78)(H,69,79)(H,70,77)(H,71,74)/t38-,45-,48-,49+,50+,51-,52-,53-,54+/m0/s1
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIAP)...


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More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Mus musculus (Mouse))
BDBM228612
PNG
(US9345740, 9)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](C)c2ccccc2F)C(=O)[C@@H]2C[Si](C)(C)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C
Show InChI InChI=1S/C57H82FN9O7Si/c1-34(59-10)49(68)63-47(56(4,5)6)54(73)66-31-40(29-45(66)52(71)62-44-24-18-20-38-19-14-15-22-42(38)44)61-51(70)39-27-25-37(26-28-39)30-65(36(3)41-21-16-17-23-43(41)58)53(72)46-32-75(12,13)33-67(46)55(74)48(57(7,8)9)64-50(69)35(2)60-11/h14-17,19,21-23,25-28,34-36,40,44-48,59-60H,18,20,24,29-33H2,1-13H3,(H,61,70)(H,62,71)(H,63,68)(H,64,69)/t34-,35-,36+,40?,44?,45-,46-,47+,48+/m0/s1
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIAP)...


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More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Mus musculus (Mouse))
BDBM228609
PNG
(US9345740, 6)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C63H85N9O7Si/c1-39(64-6)56(73)69-52(61(78)72-38-80(8,9)37-54(72)60(77)68-51-23-15-19-45-17-11-13-21-49(45)51)34-43-28-26-41(27-29-43)24-25-42-30-32-46(33-31-42)58(75)66-47-35-53(59(76)67-50-22-14-18-44-16-10-12-20-48(44)50)71(36-47)62(79)55(63(3,4)5)70-57(74)40(2)65-7/h10-13,16-17,20-21,26-33,39-40,47,50-55,64-65H,14-15,18-19,22-25,34-38H2,1-9H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t39-,40-,47?,50?,51?,52?,53-,54-,55+/m0/s1
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIAP)...


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More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Mus musculus (Mouse))
BDBM228610
PNG
(US9345740, 7)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(cc1)-c1ccc(cc1)C(=O)NC1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C61H81N9O7Si/c1-37(62-6)54(71)67-50(59(76)70-36-78(8,9)35-52(70)58(75)66-49-23-15-19-43-17-11-13-21-47(43)49)32-39-24-26-40(27-25-39)41-28-30-44(31-29-41)56(73)64-45-33-51(57(74)65-48-22-14-18-42-16-10-12-20-46(42)48)69(34-45)60(77)53(61(3,4)5)68-55(72)38(2)63-7/h10-13,16-17,20-21,24-31,37-38,45,48-53,62-63H,14-15,18-19,22-23,32-36H2,1-9H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,45?,48?,49?,50?,51-,52-,53+/m0/s1
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIAP)...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Mus musculus (Mouse))
BDBM228608
PNG
(US9345740, 5)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(cc1)C#Cc1ccc(cc1)C(=O)NC1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C63H81N9O7Si/c1-39(64-6)56(73)69-52(61(78)72-38-80(8,9)37-54(72)60(77)68-51-23-15-19-45-17-11-13-21-49(45)51)34-43-28-26-41(27-29-43)24-25-42-30-32-46(33-31-42)58(75)66-47-35-53(59(76)67-50-22-14-18-44-16-10-12-20-48(44)50)71(36-47)62(79)55(63(3,4)5)70-57(74)40(2)65-7/h10-13,16-17,20-21,26-33,39-40,47,50-55,64-65H,14-15,18-19,22-23,34-38H2,1-9H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t39-,40-,47?,50?,51?,52?,53-,54-,55+/m0/s1
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIAP)...


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More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Mus musculus (Mouse))
BDBM228615
PNG
(US9345740, 12)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](C)c2cccc(F)c2F)C(=O)[C@@H]2C[Si](C)(C)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C
Show InChI InChI=1S/C57H81F2N9O7Si/c1-33(60-10)49(69)64-47(56(4,5)6)54(74)67-30-39(28-44(67)52(72)63-43-23-16-19-37-18-14-15-20-41(37)43)62-51(71)38-26-24-36(25-27-38)29-66(35(3)40-21-17-22-42(58)46(40)59)53(73)45-31-76(12,13)32-68(45)55(75)48(57(7,8)9)65-50(70)34(2)61-11/h14-15,17-18,20-22,24-27,33-35,39,43-45,47-48,60-61H,16,19,23,28-32H2,1-13H3,(H,62,71)(H,63,72)(H,64,69)(H,65,70)/t33-,34-,35+,39-,43?,44-,45-,47+,48+/m0/s1
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


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More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (C202A)(C213G)


(Mus musculus (Mouse))
BDBM228609
PNG
(US9345740, 6)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C63H85N9O7Si/c1-39(64-6)56(73)69-52(61(78)72-38-80(8,9)37-54(72)60(77)68-51-23-15-19-45-17-11-13-21-49(45)51)34-43-28-26-41(27-29-43)24-25-42-30-32-46(33-31-42)58(75)66-47-35-53(59(76)67-50-22-14-18-44-16-10-12-20-48(44)50)71(36-47)62(79)55(63(3,4)5)70-57(74)40(2)65-7/h10-13,16-17,20-21,26-33,39-40,47,50-55,64-65H,14-15,18-19,22-25,34-38H2,1-9H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t39-,40-,47?,50?,51?,52?,53-,54-,55+/m0/s1
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C20...


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More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (C202A)(C213G)


(Mus musculus (Mouse))
BDBM228610
PNG
(US9345740, 7)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(cc1)-c1ccc(cc1)C(=O)NC1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C61H81N9O7Si/c1-37(62-6)54(71)67-50(59(76)70-36-78(8,9)35-52(70)58(75)66-49-23-15-19-43-17-11-13-21-47(43)49)32-39-24-26-40(27-25-39)41-28-30-44(31-29-41)56(73)64-45-33-51(57(74)65-48-22-14-18-42-16-10-12-20-46(42)48)69(34-45)60(77)53(61(3,4)5)68-55(72)38(2)63-7/h10-13,16-17,20-21,24-31,37-38,45,48-53,62-63H,14-15,18-19,22-23,32-36H2,1-9H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,45?,48?,49?,50?,51-,52-,53+/m0/s1
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C20...


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More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (C202A)(C213G)


(Mus musculus (Mouse))
BDBM228608
PNG
(US9345740, 5)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(cc1)C#Cc1ccc(cc1)C(=O)NC1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C63H81N9O7Si/c1-39(64-6)56(73)69-52(61(78)72-38-80(8,9)37-54(72)60(77)68-51-23-15-19-45-17-11-13-21-49(45)51)34-43-28-26-41(27-29-43)24-25-42-30-32-46(33-31-42)58(75)66-47-35-53(59(76)67-50-22-14-18-44-16-10-12-20-48(44)50)71(36-47)62(79)55(63(3,4)5)70-57(74)40(2)65-7/h10-13,16-17,20-21,26-33,39-40,47,50-55,64-65H,14-15,18-19,22-23,34-38H2,1-9H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t39-,40-,47?,50?,51?,52?,53-,54-,55+/m0/s1
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Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C20...


Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (C202A)(C213G)


(Mus musculus (Mouse))
BDBM228615
PNG
(US9345740, 12)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](C)c2cccc(F)c2F)C(=O)[C@@H]2C[Si](C)(C)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C
Show InChI InChI=1S/C57H81F2N9O7Si/c1-33(60-10)49(69)64-47(56(4,5)6)54(74)67-30-39(28-44(67)52(72)63-43-23-16-19-37-18-14-15-20-41(37)43)62-51(71)38-26-24-36(25-27-38)29-66(35(3)40-21-17-22-42(58)46(40)59)53(73)45-31-76(12,13)32-68(45)55(75)48(57(7,8)9)65-50(70)34(2)61-11/h14-15,17-18,20-22,24-27,33-35,39,43-45,47-48,60-61H,16,19,23,28-32H2,1-13H3,(H,62,71)(H,63,72)(H,64,69)(H,65,70)/t33-,34-,35+,39-,43?,44-,45-,47+,48+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...


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