Compile Data Set for Download or QSAR
Found 1110 with Last Name = 'lin' and Initial = 'dw'
LigandPNGBDBM449685(US10703733, Example 298)
Show SMILES CO[C@H]1CC[C@H](O)[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C38H48ClN5O7S/c1-23-20-52(48,42-36(47)29-19-43(2)40-37(29)50-4)41-35(46)25-8-13-34-31(17-25)44(18-26-7-10-28(26)33(49-3)14-12-32(23)45)21-38(22-51-34)15-5-6-24-16-27(39)9-11-30(24)38/h8-9,11,13,16-17,19,23,26,28,32-33,45H,5-7,10,12,14-15,18,20-22H2,1-4H3,(H,41,42,46,47,48)/t23-,26+,28-,32+,33+,38+,52+/m1/s1
Affinity DataIC50: 0.0160nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449686(US10703733, Example 299 | US10988451, Example 298)
Show SMILES CO[C@H]1CC[C@H](OC)[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C39H50ClN5O7S/c1-24-21-53(48,43-37(47)30-20-44(2)41-38(30)51-5)42-36(46)26-9-13-35-32(18-26)45(19-27-8-11-29(27)34(50-4)15-14-33(24)49-3)22-39(23-52-35)16-6-7-25-17-28(40)10-12-31(25)39/h9-10,12-13,17-18,20,24,27,29,33-34H,6-8,11,14-16,19,21-23H2,1-5H3,(H,42,43,46,47,48)/t24-,27+,29-,33+,34+,39+,53+/m1/s1
Affinity DataIC50: 0.0160nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449620(US10703733, Example 233 | US10988451, Example 233)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)C#N)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C37H44ClN5O5S/c1-24-5-3-7-33(47-2)30-11-8-28(30)20-43-22-37(14-4-6-26-15-29(38)10-12-31(26)37)23-48-34-13-9-27(16-32(34)43)35(44)40-49(46,21-24)41-36(45)42-18-25(17-39)19-42/h3,7,9-10,12-13,15-16,24-25,28,30,33H,4-6,8,11,14,18-23H2,1-2H3,(H,40,41,44,45,46)/b7-3+/t24-,28-,30+,33-,37-,49-/m0/s1
Affinity DataIC50: 0.0160nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449620(US10703733, Example 233 | US10988451, Example 233)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)C#N)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C37H44ClN5O5S/c1-24-5-3-7-33(47-2)30-11-8-28(30)20-43-22-37(14-4-6-26-15-29(38)10-12-31(26)37)23-48-34-13-9-27(16-32(34)43)35(44)40-49(46,21-24)41-36(45)42-18-25(17-39)19-42/h3,7,9-10,12-13,15-16,24-25,28,30,33H,4-6,8,11,14,18-23H2,1-2H3,(H,40,41,44,45,46)/b7-3+/t24-,28-,30+,33-,37-,49-/m0/s1
Affinity DataIC50: 0.0160nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449659(US10703733, Example 272 | US10988451, Example 272)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC3(C2)CN(C)C(=O)O3)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C39H48ClN5O7S/c1-25-6-4-8-33(50-3)30-12-9-28(30)18-44-20-38(15-5-7-26-16-29(40)11-13-31(26)38)24-51-34-14-10-27(17-32(34)44)35(46)41-53(49,19-25)42-36(47)45-22-39(23-45)21-43(2)37(48)52-39/h4,8,10-11,13-14,16-17,25,28,30,33H,5-7,9,12,15,18-24H2,1-3H3,(H,41,42,46,47,49)/b8-4+/t25-,28-,30+,33-,38-,53-/m0/s1
Affinity DataIC50: 0.0180nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449627(US10703733, Example 240 | US10988451, Example 240)
Show SMILES CO[C@H]1CCC[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C38H48ClN5O6S/c1-24-7-5-9-33(48-3)29-13-10-27(29)19-44-22-38(16-6-8-25-17-28(39)12-14-31(25)38)23-50-34-15-11-26(18-32(34)44)35(45)41-51(47,21-24)42-36(46)30-20-43(2)40-37(30)49-4/h11-12,14-15,17-18,20,24,27,29,33H,5-10,13,16,19,21-23H2,1-4H3,(H,41,42,45,46,47)/t24-,27-,29+,33-,38-,51-/m0/s1
Affinity DataIC50: 0.0180nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449659(US10703733, Example 272 | US10988451, Example 272)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC3(C2)CN(C)C(=O)O3)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C39H48ClN5O7S/c1-25-6-4-8-33(50-3)30-12-9-28(30)18-44-20-38(15-5-7-26-16-29(40)11-13-31(26)38)24-51-34-14-10-27(17-32(34)44)35(46)41-53(49,19-25)42-36(47)45-22-39(23-45)21-43(2)37(48)52-39/h4,8,10-11,13-14,16-17,25,28,30,33H,5-7,9,12,15,18-24H2,1-3H3,(H,41,42,46,47,49)/b8-4+/t25-,28-,30+,33-,38-,53-/m0/s1
Affinity DataIC50: 0.0180nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449627(US10703733, Example 240 | US10988451, Example 240)
Show SMILES CO[C@H]1CCC[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C38H48ClN5O6S/c1-24-7-5-9-33(48-3)29-13-10-27(29)19-44-22-38(16-6-8-25-17-28(39)12-14-31(25)38)23-50-34-15-11-26(18-32(34)44)35(45)41-51(47,21-24)42-36(46)30-20-43(2)40-37(30)49-4/h11-12,14-15,17-18,20,24,27,29,33H,5-10,13,16,19,21-23H2,1-4H3,(H,41,42,45,46,47)/t24-,27-,29+,33-,38-,51-/m0/s1
Affinity DataIC50: 0.0180nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449730(US10703733, Example 343 | US10988451, Example 343)
Show SMILES C[C@@H](CC=C)[C@@H](C)[S@@](=O)(NC(=O)C(F)(F)F)=NC(=O)c1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(C[C@@H]3CC[C@H]3[C@@H](OC(C)=O)C=C)c2c1
Show InChI InChI=1S/C38H45ClF3N3O6S/c1-6-9-23(3)24(4)52(49,44-36(48)38(40,41)42)43-35(47)27-12-16-34-32(19-27)45(20-28-11-14-30(28)33(7-2)51-25(5)46)21-37(22-50-34)17-8-10-26-18-29(39)13-15-31(26)37/h6-7,12-13,15-16,18-19,23-24,28,30,33H,1-2,8-11,14,17,20-22H2,3-5H3,(H,43,44,47,48,49)/t23-,24+,28-,30+,33-,37-,52-/m0/s1
Affinity DataIC50: 0.0190nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449730(US10703733, Example 343 | US10988451, Example 343)
Show SMILES C[C@@H](CC=C)[C@@H](C)[S@@](=O)(NC(=O)C(F)(F)F)=NC(=O)c1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(C[C@@H]3CC[C@H]3[C@@H](OC(C)=O)C=C)c2c1
Show InChI InChI=1S/C38H45ClF3N3O6S/c1-6-9-23(3)24(4)52(49,44-36(48)38(40,41)42)43-35(47)27-12-16-34-32(19-27)45(20-28-11-14-30(28)33(7-2)51-25(5)46)21-37(22-50-34)17-8-10-26-18-29(39)13-15-31(26)37/h6-7,12-13,15-16,18-19,23-24,28,30,33H,1-2,8-11,14,17,20-22H2,3-5H3,(H,43,44,47,48,49)/t23-,24+,28-,30+,33-,37-,52-/m0/s1
Affinity DataIC50: 0.0190nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449679(US10703733, Example 292)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)OC(=O)N(C)C)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C39H50ClN5O7S/c1-25-7-5-9-34(50-4)31-13-10-28(31)19-45-23-39(16-6-8-26-17-29(40)12-14-32(26)39)24-51-35-15-11-27(18-33(35)45)36(46)41-53(49,22-25)42-37(47)44-20-30(21-44)52-38(48)43(2)3/h5,9,11-12,14-15,17-18,25,28,30-31,34H,6-8,10,13,16,19-24H2,1-4H3,(H,41,42,46,47,49)/b9-5+/t25-,28-,31+,34-,39-,53-/m0/s1
Affinity DataIC50: 0.0200nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM493822(US10988451, Example 292)
Show SMILES C[C@H]1C\C=C\[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)N=[S@@](=O)(C1)NC(=O)N1CC(C1)OC(=O)N(C)C
Show InChI InChI=1S/C38H48ClN5O7S/c1-24-6-4-8-33(45)30-12-9-27(30)18-44-22-38(15-5-7-25-16-28(39)11-13-31(25)38)23-50-34-14-10-26(17-32(34)44)35(46)40-52(49,21-24)41-36(47)43-19-29(20-43)51-37(48)42(2)3/h4,8,10-11,13-14,16-17,24,27,29-30,33,45H,5-7,9,12,15,18-23H2,1-3H3,(H,40,41,46,47,49)/b8-4+/t24-,27-,30+,33-,38-,52-/m0/s1
Affinity DataIC50: 0.0200nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449559(US10703733, Example 172 | US10988451, Example 172)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2C[C@](C)(O)C2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C38H49ClN4O6S/c1-24-6-4-8-33(48-3)30-12-9-27(30)20-43-22-38(15-5-7-25-16-28(39)11-13-31(25)38)23-49-34-14-10-26(17-32(34)43)35(44)41-50(47,21-24)42-36(45)40-29-18-37(2,46)19-29/h4,8,10-11,13-14,16-17,24,27,29-30,33,46H,5-7,9,12,15,18-23H2,1-3H3,(H2,40,41,42,44,45,47)/b8-4+/t24-,27-,29-,30+,33-,37-,38-,50-/m0/s1
Affinity DataIC50: 0.0220nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449559(US10703733, Example 172 | US10988451, Example 172)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2C[C@](C)(O)C2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C38H49ClN4O6S/c1-24-6-4-8-33(48-3)30-12-9-27(30)20-43-22-38(15-5-7-25-16-28(39)11-13-31(25)38)23-49-34-14-10-26(17-32(34)43)35(44)41-50(47,21-24)42-36(45)40-29-18-37(2,46)19-29/h4,8,10-11,13-14,16-17,24,27,29-30,33,46H,5-7,9,12,15,18-23H2,1-3H3,(H2,40,41,42,44,45,47)/b8-4+/t24-,27-,29-,30+,33-,37-,38-,50-/m0/s1
Affinity DataIC50: 0.0220nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449749(US10703733, Example 362 | US10988451, Example 362)
Show SMILES COC1CN(C1)C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C37H47ClN4O6S/c1-24-6-4-8-33(47-3)30-12-9-27(30)18-42-22-37(15-5-7-25-16-28(38)11-13-31(25)37)23-48-34-14-10-26(17-32(34)42)35(43)39-49(45,21-24)40-36(44)41-19-29(20-41)46-2/h4,8,10-11,13-14,16-17,24,27,29-30,33H,5-7,9,12,15,18-23H2,1-3H3,(H,39,40,43,44,45)/b8-4+/t24-,27-,30+,33-,37-,49-/m0/s1
Affinity DataIC50: 0.0240nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449698(US10703733, Example 311 | US10988451, Example 311)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2C[C@@H]2C(F)F)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C37H45ClF2N4O5S/c1-22-5-3-7-32(48-2)27-11-8-25(27)18-44-20-37(14-4-6-23-15-26(38)10-12-29(23)37)21-49-33-13-9-24(16-31(33)44)35(45)42-50(47,19-22)43-36(46)41-30-17-28(30)34(39)40/h3,7,9-10,12-13,15-16,22,25,27-28,30,32,34H,4-6,8,11,14,17-21H2,1-2H3,(H2,41,42,43,45,46,47)/b7-3+/t22-,25-,27+,28-,30-,32-,37-,50-/m0/s1
Affinity DataIC50: 0.0240nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449698(US10703733, Example 311 | US10988451, Example 311)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2C[C@@H]2C(F)F)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C37H45ClF2N4O5S/c1-22-5-3-7-32(48-2)27-11-8-25(27)18-44-20-37(14-4-6-23-15-26(38)10-12-29(23)37)21-49-33-13-9-24(16-31(33)44)35(45)42-50(47,19-22)43-36(46)41-30-17-28(30)34(39)40/h3,7,9-10,12-13,15-16,22,25,27-28,30,32,34H,4-6,8,11,14,17-21H2,1-2H3,(H2,41,42,43,45,46,47)/b7-3+/t22-,25-,27+,28-,30-,32-,37-,50-/m0/s1
Affinity DataIC50: 0.0240nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449749(US10703733, Example 362 | US10988451, Example 362)
Show SMILES COC1CN(C1)C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C37H47ClN4O6S/c1-24-6-4-8-33(47-3)30-12-9-27(30)18-42-22-37(15-5-7-25-16-28(38)11-13-31(25)37)23-48-34-14-10-26(17-32(34)42)35(43)39-49(45,21-24)40-36(44)41-19-29(20-41)46-2/h4,8,10-11,13-14,16-17,24,27,29-30,33H,5-7,9,12,15,18-23H2,1-3H3,(H,39,40,43,44,45)/b8-4+/t24-,27-,30+,33-,37-,49-/m0/s1
Affinity DataIC50: 0.0240nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449548(US10703733, Example 161 | US10988451, Example 161)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2CC2(F)F)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C36H43ClF2N4O5S/c1-22-5-3-7-30(47-2)27-11-8-25(27)18-43-20-35(14-4-6-23-15-26(37)10-12-28(23)35)21-48-31-13-9-24(16-29(31)43)33(44)41-49(46,19-22)42-34(45)40-32-17-36(32,38)39/h3,7,9-10,12-13,15-16,22,25,27,30,32H,4-6,8,11,14,17-21H2,1-2H3,(H2,40,41,42,44,45,46)/b7-3+/t22-,25-,27+,30-,32-,35-,49-/m0/s1
Affinity DataIC50: 0.0250nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449548(US10703733, Example 161 | US10988451, Example 161)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2CC2(F)F)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C36H43ClF2N4O5S/c1-22-5-3-7-30(47-2)27-11-8-25(27)18-43-20-35(14-4-6-23-15-26(37)10-12-28(23)35)21-48-31-13-9-24(16-29(31)43)33(44)41-49(46,19-22)42-34(45)40-32-17-36(32,38)39/h3,7,9-10,12-13,15-16,22,25,27,30,32H,4-6,8,11,14,17-21H2,1-2H3,(H2,40,41,42,44,45,46)/b7-3+/t22-,25-,27+,30-,32-,35-,49-/m0/s1
Affinity DataIC50: 0.0250nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449687(US10703733, Example 300 | US10988451, Example 300)
Show SMILES COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC(=O)CCN4CCOCC4)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C44H55ClN6O8S/c1-29-6-4-8-38(59-40(52)15-17-50-18-20-57-21-19-50)34-12-9-32(34)24-51-27-44(16-5-7-30-22-33(45)11-13-36(30)44)28-58-39-14-10-31(23-37(39)51)41(53)47-60(55,26-29)48-42(54)35-25-49(2)46-43(35)56-3/h4,8,10-11,13-14,22-23,25,29,32,34,38H,5-7,9,12,15-21,24,26-28H2,1-3H3,(H,47,48,53,54,55)/b8-4+/t29-,32-,34+,38-,44-,60-/m0/s1
Affinity DataIC50: 0.0260nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449736(US10703733, Example 349 | US10988451, Example 349)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)N2CCOCC2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C40H52ClN5O6S/c1-27-5-3-7-36(50-2)33-11-8-30(33)21-46-25-40(14-4-6-28-19-31(41)10-12-34(28)40)26-52-37-13-9-29(20-35(37)46)38(47)42-53(49,24-27)43-39(48)45-22-32(23-45)44-15-17-51-18-16-44/h3,7,9-10,12-13,19-20,27,30,32-33,36H,4-6,8,11,14-18,21-26H2,1-2H3,(H,42,43,47,48,49)/b7-3+/t27-,30-,33+,36-,40-,53-/m0/s1
Affinity DataIC50: 0.0260nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449736(US10703733, Example 349 | US10988451, Example 349)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)N2CCOCC2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C40H52ClN5O6S/c1-27-5-3-7-36(50-2)33-11-8-30(33)21-46-25-40(14-4-6-28-19-31(41)10-12-34(28)40)26-52-37-13-9-29(20-35(37)46)38(47)42-53(49,24-27)43-39(48)45-22-32(23-45)44-15-17-51-18-16-44/h3,7,9-10,12-13,19-20,27,30,32-33,36H,4-6,8,11,14-18,21-26H2,1-2H3,(H,42,43,47,48,49)/b7-3+/t27-,30-,33+,36-,40-,53-/m0/s1
Affinity DataIC50: 0.0260nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449687(US10703733, Example 300 | US10988451, Example 300)
Show SMILES COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC(=O)CCN4CCOCC4)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C44H55ClN6O8S/c1-29-6-4-8-38(59-40(52)15-17-50-18-20-57-21-19-50)34-12-9-32(34)24-51-27-44(16-5-7-30-22-33(45)11-13-36(30)44)28-58-39-14-10-31(23-37(39)51)41(53)47-60(55,26-29)48-42(54)35-25-49(2)46-43(35)56-3/h4,8,10-11,13-14,22-23,25,29,32,34,38H,5-7,9,12,15-21,24,26-28H2,1-3H3,(H,47,48,53,54,55)/b8-4+/t29-,32-,34+,38-,44-,60-/m0/s1
Affinity DataIC50: 0.0260nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449617(US10703733, Example 230 | US10988451, Example 230)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC3(CCO3)C2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C38H47ClN4O6S/c1-25-5-3-7-33(47-2)30-11-8-28(30)19-42-21-37(14-4-6-26-17-29(39)10-12-31(26)37)24-48-34-13-9-27(18-32(34)42)35(44)40-50(46,20-25)41-36(45)43-22-38(23-43)15-16-49-38/h3,7,9-10,12-13,17-18,25,28,30,33H,4-6,8,11,14-16,19-24H2,1-2H3,(H,40,41,44,45,46)/b7-3+/t25-,28-,30+,33-,37-,50-/m0/s1
Affinity DataIC50: 0.0270nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449617(US10703733, Example 230 | US10988451, Example 230)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC3(CCO3)C2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C38H47ClN4O6S/c1-25-5-3-7-33(47-2)30-11-8-28(30)19-42-21-37(14-4-6-26-17-29(39)10-12-31(26)37)24-48-34-13-9-27(18-32(34)42)35(44)40-50(46,20-25)41-36(45)43-22-38(23-43)15-16-49-38/h3,7,9-10,12-13,17-18,25,28,30,33H,4-6,8,11,14-16,19-24H2,1-2H3,(H,40,41,44,45,46)/b7-3+/t25-,28-,30+,33-,37-,50-/m0/s1
Affinity DataIC50: 0.0270nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449696(US10703733, Example 309 | US10988451, Example 309)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)c2cc(CN3CCN(CC3)C3COC3)n(C)c2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C46H59ClN6O6S/c1-31-6-4-8-42(57-3)39-12-9-34(39)24-53-29-46(15-5-7-32-20-36(47)11-13-40(32)46)30-59-43-14-10-33(22-41(43)53)44(54)48-60(56,28-31)49-45(55)35-21-37(50(2)23-35)25-51-16-18-52(19-17-51)38-26-58-27-38/h4,8,10-11,13-14,20-23,31,34,38-39,42H,5-7,9,12,15-19,24-30H2,1-3H3,(H,48,49,54,55,56)/b8-4+/t31-,34-,39+,42-,46-,60-/m0/s1
Affinity DataIC50: 0.0290nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449674(US10703733, Example 287 | US10988451, Example 287)
Show SMILES COC1CCN(CC1)C1CN(C1)C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C42H56ClN5O6S/c1-28-6-4-8-38(53-3)35-12-9-31(35)22-48-26-42(17-5-7-29-20-32(43)11-13-36(29)42)27-54-39-14-10-30(21-37(39)48)40(49)44-55(51,25-28)45-41(50)47-23-33(24-47)46-18-15-34(52-2)16-19-46/h4,8,10-11,13-14,20-21,28,31,33-35,38H,5-7,9,12,15-19,22-27H2,1-3H3,(H,44,45,49,50,51)/b8-4+/t28-,31-,35+,38-,42-,55-/m0/s1
Affinity DataIC50: 0.0290nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449670(US10703733, Example 283 | US10988451, Example 283)
Show SMILES CO[C@H]1\C=C\[C@H](OC)[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C39H48ClN5O7S/c1-24-21-53(48,43-37(47)30-20-44(2)41-38(30)51-5)42-36(46)26-9-13-35-32(18-26)45(19-27-8-11-29(27)34(50-4)15-14-33(24)49-3)22-39(23-52-35)16-6-7-25-17-28(40)10-12-31(25)39/h9-10,12-15,17-18,20,24,27,29,33-34H,6-8,11,16,19,21-23H2,1-5H3,(H,42,43,46,47,48)/b15-14+/t24-,27+,29-,33+,34+,39+,53+/m1/s1
Affinity DataIC50: 0.0290nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449696(US10703733, Example 309 | US10988451, Example 309)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)c2cc(CN3CCN(CC3)C3COC3)n(C)c2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C46H59ClN6O6S/c1-31-6-4-8-42(57-3)39-12-9-34(39)24-53-29-46(15-5-7-32-20-36(47)11-13-40(32)46)30-59-43-14-10-33(22-41(43)53)44(54)48-60(56,28-31)49-45(55)35-21-37(50(2)23-35)25-51-16-18-52(19-17-51)38-26-58-27-38/h4,8,10-11,13-14,20-23,31,34,38-39,42H,5-7,9,12,15-19,24-30H2,1-3H3,(H,48,49,54,55,56)/b8-4+/t31-,34-,39+,42-,46-,60-/m0/s1
Affinity DataIC50: 0.0290nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449729(US10703733, Example 342 | US10988451, Example 342)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@@H]2CC22CCOC2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C39H49ClN4O6S/c1-25-5-3-7-33(48-2)30-11-8-28(30)20-44-22-39(14-4-6-26-17-29(40)10-12-31(26)39)24-50-34-13-9-27(18-32(34)44)36(45)42-51(47,21-25)43-37(46)41-35-19-38(35)15-16-49-23-38/h3,7,9-10,12-13,17-18,25,28,30,33,35H,4-6,8,11,14-16,19-24H2,1-2H3,(H2,41,42,43,45,46,47)/b7-3+/t25-,28-,30+,33-,35+,38?,39-,51-/m0/s1
Affinity DataIC50: 0.0290nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449670(US10703733, Example 283 | US10988451, Example 283)
Show SMILES CO[C@H]1\C=C\[C@H](OC)[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C39H48ClN5O7S/c1-24-21-53(48,43-37(47)30-20-44(2)41-38(30)51-5)42-36(46)26-9-13-35-32(18-26)45(19-27-8-11-29(27)34(50-4)15-14-33(24)49-3)22-39(23-52-35)16-6-7-25-17-28(40)10-12-31(25)39/h9-10,12-15,17-18,20,24,27,29,33-34H,6-8,11,16,19,21-23H2,1-5H3,(H,42,43,46,47,48)/b15-14+/t24-,27+,29-,33+,34+,39+,53+/m1/s1
Affinity DataIC50: 0.0290nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449674(US10703733, Example 287 | US10988451, Example 287)
Show SMILES COC1CCN(CC1)C1CN(C1)C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C42H56ClN5O6S/c1-28-6-4-8-38(53-3)35-12-9-31(35)22-48-26-42(17-5-7-29-20-32(43)11-13-36(29)42)27-54-39-14-10-30(21-37(39)48)40(49)44-55(51,25-28)45-41(50)47-23-33(24-47)46-18-15-34(52-2)16-19-46/h4,8,10-11,13-14,20-21,28,31,33-35,38H,5-7,9,12,15-19,22-27H2,1-3H3,(H,44,45,49,50,51)/b8-4+/t28-,31-,35+,38-,42-,55-/m0/s1
Affinity DataIC50: 0.0290nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449637(US10703733, Example 250 | US10988451, Example 250)
Show SMILES CO[C@H]1CN([C@@H]1C)C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C38H49ClN4O6S/c1-24-7-5-9-33(47-3)30-13-10-28(30)19-42-22-38(16-6-8-26-17-29(39)12-14-31(26)38)23-49-34-15-11-27(18-32(34)42)36(44)40-50(46,21-24)41-37(45)43-20-35(48-4)25(43)2/h5,9,11-12,14-15,17-18,24-25,28,30,33,35H,6-8,10,13,16,19-23H2,1-4H3,(H,40,41,44,45,46)/b9-5+/t24-,25+,28-,30+,33-,35-,38-,50-/m0/s1
Affinity DataIC50: 0.0290nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449729(US10703733, Example 342 | US10988451, Example 342)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@@H]2CC22CCOC2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C39H49ClN4O6S/c1-25-5-3-7-33(48-2)30-11-8-28(30)20-44-22-39(14-4-6-26-17-29(40)10-12-31(26)39)24-50-34-13-9-27(18-32(34)44)36(45)42-51(47,21-25)43-37(46)41-35-19-38(35)15-16-49-23-38/h3,7,9-10,12-13,17-18,25,28,30,33,35H,4-6,8,11,14-16,19-24H2,1-2H3,(H2,41,42,43,45,46,47)/b7-3+/t25-,28-,30+,33-,35+,38?,39-,51-/m0/s1
Affinity DataIC50: 0.0290nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449637(US10703733, Example 250 | US10988451, Example 250)
Show SMILES CO[C@H]1CN([C@@H]1C)C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C38H49ClN4O6S/c1-24-7-5-9-33(47-3)30-13-10-28(30)19-42-22-38(16-6-8-26-17-29(39)12-14-31(26)38)23-49-34-15-11-27(18-32(34)42)36(44)40-50(46,21-24)41-37(45)43-20-35(48-4)25(43)2/h5,9,11-12,14-15,17-18,24-25,28,30,33,35H,6-8,10,13,16,19-23H2,1-4H3,(H,40,41,44,45,46)/b9-5+/t24-,25+,28-,30+,33-,35-,38-,50-/m0/s1
Affinity DataIC50: 0.0290nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449577(US10703733, Example 190 | US10703733, Example 194 ...)
Show SMILES COC1CCCn2cc(cc2C1)C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C43H53ClN4O6S/c1-28-7-4-10-39(53-3)36-14-11-31(36)23-48-26-43(17-5-8-29-19-33(44)13-15-37(29)43)27-54-40-16-12-30(21-38(40)48)41(49)45-55(51,25-28)46-42(50)32-20-34-22-35(52-2)9-6-18-47(34)24-32/h4,10,12-13,15-16,19-21,24,28,31,35-36,39H,5-9,11,14,17-18,22-23,25-27H2,1-3H3,(H,45,46,49,50,51)/b10-4+/t28-,31-,35?,36+,39-,43-,55-/m0/s1
Affinity DataIC50: 0.0300nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449616(US10703733, Example 229)
Show SMILES CO[C@H]1\C=C\C[C@H](C)[C@@H](C)[S@@](=O)(NC(=O)c2cc3CO[C@@H](CN4CCN5CCOC[C@H]5C4)Cn3c2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C49H63ClN6O7S/c1-32-6-4-8-45(60-3)42-12-9-36(42)23-56-30-49(15-5-7-34-20-38(50)11-13-43(34)49)31-63-46-14-10-35(22-44(46)56)47(57)51-64(59,33(32)2)52-48(58)37-21-39-29-62-41(27-55(39)24-37)26-53-16-17-54-18-19-61-28-40(54)25-53/h4,8,10-11,13-14,20-22,24,32-33,36,40-42,45H,5-7,9,12,15-19,23,25-31H2,1-3H3,(H,51,52,57,58,59)/b8-4+/t32-,33+,36-,40+,41-,42+,45-,49-,64-/m0/s1
Affinity DataIC50: 0.0300nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449654(US10703733, Example 267 | US10988451, Example 267)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(CO)(C2)OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C38H49ClN4O7S/c1-25-6-4-8-33(48-2)30-12-9-28(30)18-42-20-37(15-5-7-26-16-29(39)11-13-31(26)37)24-50-34-14-10-27(17-32(34)42)35(45)40-51(47,19-25)41-36(46)43-21-38(22-43,23-44)49-3/h4,8,10-11,13-14,16-17,25,28,30,33,44H,5-7,9,12,15,18-24H2,1-3H3,(H,40,41,45,46,47)/b8-4+/t25-,28-,30+,33-,37-,51-/m0/s1
Affinity DataIC50: 0.0300nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449677(US10703733, Example 290 | US10988451, Example 290)
Show SMILES COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](O)CCC[C@H](C)[C@H]1C)c3c2
Show InChI InChI=1S/C38H48ClN5O6S/c1-23-7-5-9-33(45)29-13-10-27(29)19-44-21-38(16-6-8-25-17-28(39)12-14-31(25)38)22-50-34-15-11-26(18-32(34)44)35(46)41-51(48,24(23)2)42-36(47)30-20-43(3)40-37(30)49-4/h11-12,14-15,17-18,20,23-24,27,29,33,45H,5-10,13,16,19,21-22H2,1-4H3,(H,41,42,46,47,48)/t23-,24+,27-,29+,33-,38-,51-/m0/s1
Affinity DataIC50: 0.0300nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449717(US10703733, Example 330 | US10988451, Example 330)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CCC(CC2)OC(F)F)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C39H49ClF2N4O6S/c1-25-5-3-7-34(50-2)31-11-8-28(31)21-46-23-39(16-4-6-26-19-29(40)10-12-32(26)39)24-51-35-13-9-27(20-33(35)46)36(47)43-53(49,22-25)44-38(48)45-17-14-30(15-18-45)52-37(41)42/h3,7,9-10,12-13,19-20,25,28,30-31,34,37H,4-6,8,11,14-18,21-24H2,1-2H3,(H,43,44,47,48,49)/b7-3+/t25-,28-,31+,34-,39-,53-/m0/s1
Affinity DataIC50: 0.0300nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449717(US10703733, Example 330 | US10988451, Example 330)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CCC(CC2)OC(F)F)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C39H49ClF2N4O6S/c1-25-5-3-7-34(50-2)31-11-8-28(31)21-46-23-39(16-4-6-26-19-29(40)10-12-32(26)39)24-51-35-13-9-27(20-33(35)46)36(47)43-53(49,22-25)44-38(48)45-17-14-30(15-18-45)52-37(41)42/h3,7,9-10,12-13,19-20,25,28,30-31,34,37H,4-6,8,11,14-18,21-24H2,1-2H3,(H,43,44,47,48,49)/b7-3+/t25-,28-,31+,34-,39-,53-/m0/s1
Affinity DataIC50: 0.0300nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449577(US10703733, Example 190 | US10703733, Example 194 ...)
Show SMILES COC1CCCn2cc(cc2C1)C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C43H53ClN4O6S/c1-28-7-4-10-39(53-3)36-14-11-31(36)23-48-26-43(17-5-8-29-19-33(44)13-15-37(29)43)27-54-40-16-12-30(21-38(40)48)41(49)45-55(51,25-28)46-42(50)32-20-34-22-35(52-2)9-6-18-47(34)24-32/h4,10,12-13,15-16,19-21,24,28,31,35-36,39H,5-9,11,14,17-18,22-23,25-27H2,1-3H3,(H,45,46,49,50,51)/b10-4+/t28-,31-,35?,36+,39-,43-,55-/m0/s1
Affinity DataIC50: 0.0300nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM493759(US10988451, Example 229)
Show SMILES C[C@H]1C\C=C\[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)N=[S@](=O)(NC(=O)c2cc3CO[C@@H](CN4CCN5CCOC[C@H]5C4)Cn3c2)[C@@H]1C
Show InChI InChI=1S/C48H61ClN6O7S/c1-31-5-3-7-44(56)41-11-8-35(41)22-55-29-48(14-4-6-33-19-37(49)10-12-42(33)48)30-62-45-13-9-34(21-43(45)55)46(57)50-63(59,32(31)2)51-47(58)36-20-38-28-61-40(26-54(38)23-36)25-52-15-16-53-17-18-60-27-39(53)24-52/h3,7,9-10,12-13,19-21,23,31-32,35,39-41,44,56H,4-6,8,11,14-18,22,24-30H2,1-2H3,(H,50,51,57,58,59)/b7-3+/t31-,32+,35-,39+,40-,41+,44-,48-,63-/m0/s1
Affinity DataIC50: 0.0300nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449654(US10703733, Example 267 | US10988451, Example 267)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(CO)(C2)OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C38H49ClN4O7S/c1-25-6-4-8-33(48-2)30-12-9-28(30)18-42-20-37(15-5-7-26-16-29(39)11-13-31(26)37)24-50-34-14-10-27(17-32(34)42)35(45)40-51(47,19-25)41-36(46)43-21-38(22-43,23-44)49-3/h4,8,10-11,13-14,16-17,25,28,30,33,44H,5-7,9,12,15,18-24H2,1-3H3,(H,40,41,45,46,47)/b8-4+/t25-,28-,30+,33-,37-,51-/m0/s1
Affinity DataIC50: 0.0300nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449677(US10703733, Example 290 | US10988451, Example 290)
Show SMILES COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](O)CCC[C@H](C)[C@H]1C)c3c2
Show InChI InChI=1S/C38H48ClN5O6S/c1-23-7-5-9-33(45)29-13-10-27(29)19-44-21-38(16-6-8-25-17-28(39)12-14-31(25)38)22-50-34-15-11-26(18-32(34)44)35(46)41-51(48,24(23)2)42-36(47)30-20-43(3)40-37(30)49-4/h11-12,14-15,17-18,20,23-24,27,29,33,45H,5-10,13,16,19,21-22H2,1-4H3,(H,41,42,46,47,48)/t23-,24+,27-,29+,33-,38-,51-/m0/s1
Affinity DataIC50: 0.0300nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449695(US10703733, Example 308 | US10988451, Example 308)
Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)c2cc(CN3CCOCC3)n(C)c2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2
Show InChI InChI=1S/C43H54ClN5O6S/c1-29-6-4-8-39(53-3)36-12-9-32(36)24-49-27-43(15-5-7-30-20-34(44)11-13-37(30)43)28-55-40-14-10-31(22-38(40)49)41(50)45-56(52,26-29)46-42(51)33-21-35(47(2)23-33)25-48-16-18-54-19-17-48/h4,8,10-11,13-14,20-23,29,32,36,39H,5-7,9,12,15-19,24-28H2,1-3H3,(H,45,46,50,51,52)/b8-4+/t29-,32-,36+,39-,43-,56-/m0/s1
Affinity DataIC50: 0.0310nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449547(US10703733, Example 160 | US10703733, Example 195 ...)
Show SMILES CO[C@H]1C[C@@H]1NC(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C37H47ClN4O6S/c1-23-6-4-8-32(46-2)28-12-9-26(28)19-42-21-37(15-5-7-24-16-27(38)11-13-29(24)37)22-48-33-14-10-25(17-31(33)42)35(43)40-49(45,20-23)41-36(44)39-30-18-34(30)47-3/h4,8,10-11,13-14,16-17,23,26,28,30,32,34H,5-7,9,12,15,18-22H2,1-3H3,(H2,39,40,41,43,44,45)/b8-4+/t23-,26-,28+,30-,32-,34-,37-,49-/m0/s1
Affinity DataIC50: 0.0310nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM449733(US10703733, Example 346 | US10988451, Example 346)
Show SMILES COCC1CN(C1)C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C38H49ClN4O6S/c1-25-6-4-8-34(48-3)31-12-9-29(31)20-43-23-38(15-5-7-27-16-30(39)11-13-32(27)38)24-49-35-14-10-28(17-33(35)43)36(44)40-50(46,22-25)41-37(45)42-18-26(19-42)21-47-2/h4,8,10-11,13-14,16-17,25-26,29,31,34H,5-7,9,12,15,18-24H2,1-3H3,(H,40,41,44,45,46)/b8-4+/t25-,29-,31+,34-,38-,50-/m0/s1
Affinity DataIC50: 0.0310nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Gilead Sciences, Inc.

US Patent
LigandPNGBDBM449547(US10703733, Example 160 | US10703733, Example 195 ...)
Show SMILES CO[C@H]1C[C@@H]1NC(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2
Show InChI InChI=1S/C37H47ClN4O6S/c1-23-6-4-8-32(46-2)28-12-9-26(28)19-42-21-37(15-5-7-24-16-27(38)11-13-29(24)37)22-48-33-14-10-25(17-31(33)42)35(43)40-49(45,20-23)41-36(44)39-30-18-34(30)47-3/h4,8,10-11,13-14,16-17,23,26,28,30,32,34H,5-7,9,12,15,18-22H2,1-3H3,(H2,39,40,41,43,44,45)/b8-4+/t23-,26-,28+,30-,32-,34-,37-,49-/m0/s1
Affinity DataIC50: 0.0310nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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