Found 30 hits of ic50 for UniProtKB: P98170 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030280
(CHEMBL3339214 | US9783573, Example 10)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8/c1-36(64-9)54(74)70-52(62(3,4)5)60(80)72-34-43-31-44(30-29-42(43)32-50(72)58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)66-56(76)40-25-27-41(28-26-40)57(77)67-45-33-51(59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)73(35-45)61(81)53(63(6,7)8)71-55(75)37(2)65-10/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45-,48+,49+,50-,51-,52+,53+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50071821
(CHEMBL3410872 | US9783573, Example 6)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C57H78N10O8/c1-32(58-9)48(68)64-46(56(3,4)5)54(74)66-30-37-27-38(26-25-36(37)28-44(66)50(70)62-42-23-15-19-34-17-11-13-21-40(34)42)60-52(72)53(73)61-39-29-45(51(71)63-43-24-16-20-35-18-12-14-22-41(35)43)67(31-39)55(75)47(57(6,7)8)65-49(69)33(2)59-10/h11-14,17-18,21-22,25-27,32-33,39,42-47,58-59H,15-16,19-20,23-24,28-31H2,1-10H3,(H,60,72)(H,61,73)(H,62,70)(H,63,71)(H,64,68)(H,65,69)/t32-,33-,39-,42+,43+,44-,45-,46+,47+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345175
((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CNC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)nc1)C(C)(C)C Show InChI InChI=1S/C63H83N11O8/c1-36(64-9)54(75)71-52(62(3,4)5)60(81)73-34-43-29-41(26-25-40(43)30-50(73)58(79)69-48-23-15-19-38-17-11-13-21-46(38)48)56(77)67-33-44-28-27-42(32-66-44)57(78)68-45-31-51(59(80)70-49-24-16-20-39-18-12-14-22-47(39)49)74(35-45)61(82)53(63(6,7)8)72-55(76)37(2)65-10/h11-14,17-18,21-22,25-29,32,36-37,45,48-53,64-65H,15-16,19-20,23-24,30-31,33-35H2,1-10H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H,71,75)(H,72,76)/t36-,37-,45-,48+,49+,50-,51-,52+,53+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345205
(US9783573, Example 55)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(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SC)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8S/c1-36(64-8)54(74)70-52(62(3,4)5)60(80)73-35-45(33-51(73)59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)67-57(77)41-27-25-40(26-28-41)56(76)66-44-30-29-42-32-50(58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)72(34-43(42)31-44)61(81)53(63(6,7)82-10)71-55(75)37(2)65-9/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45-,48+,49?,50-,51-,52+,53+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345172
((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1coc(NC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)n1)C(C)(C)C Show InChI InChI=1S/C60H79N11O9/c1-33(61-9)50(72)67-48(59(3,4)5)56(78)70-30-39-27-38(26-25-37(39)28-46(70)54(76)64-43-23-15-19-35-17-11-13-21-41(35)43)52(74)69-58-66-45(32-80-58)53(75)63-40-29-47(55(77)65-44-24-16-20-36-18-12-14-22-42(36)44)71(31-40)57(79)49(60(6,7)8)68-51(73)34(2)62-10/h11-14,17-18,21-22,25-27,32-34,40,43-44,46-49,61-62H,15-16,19-20,23-24,28-31H2,1-10H3,(H,63,75)(H,64,76)(H,65,77)(H,67,72)(H,68,73)(H,66,69,74)/t33-,34-,40-,43+,44+,46-,47-,48+,49+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030270
(CHEMBL3339219 | US9783573, Example 23)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1cnc(NC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)o1)C(C)(C)C |r| Show InChI InChI=1S/C60H79N11O9/c1-33(61-9)50(72)67-48(59(3,4)5)56(78)70-31-39-27-38(26-25-37(39)28-45(70)53(75)65-43-23-15-19-35-17-11-13-21-41(35)43)52(74)69-58-63-30-47(80-58)55(77)64-40-29-46(54(76)66-44-24-16-20-36-18-12-14-22-42(36)44)71(32-40)57(79)49(60(6,7)8)68-51(73)34(2)62-10/h11-14,17-18,21-22,25-27,30,33-34,40,43-46,48-49,61-62H,15-16,19-20,23-24,28-29,31-32H2,1-10H3,(H,64,77)(H,65,75)(H,66,76)(H,67,72)(H,68,73)(H,63,69,74)/t33-,34-,40-,43+,44+,45-,46-,48+,49+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345168
(US9783573, Example 18)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C56H78N10O7/c1-32(57-9)48(67)63-46(55(3,4)5)52(71)65-30-37-27-38(26-25-36(37)28-44(65)50(69)61-42-23-15-19-34-17-11-13-21-40(34)42)59-54(73)60-39-29-45(51(70)62-43-24-16-20-35-18-12-14-22-41(35)43)66(31-39)53(72)47(56(6,7)8)64-49(68)33(2)58-10/h11-14,17-18,21-22,25-27,32-33,39,42-47,57-58H,15-16,19-20,23-24,28-31H2,1-10H3,(H,61,69)(H,62,70)(H,63,67)(H,64,68)(H2,59,60,73)/t32-,33-,39-,42?,43?,44-,45-,46+,47+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345152
(US9783573, Example 2)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2CN([C@@H](Cc2c1)C(=O)NC1CCCc2ccccc12)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8/c1-36(64-9)54(74)70-52(62(3,4)5)60(80)72-34-42-29-30-44(31-43(42)32-50(72)58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)66-56(76)40-25-27-41(28-26-40)57(77)67-45-33-51(59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)73(35-45)61(81)53(63(6,7)8)71-55(75)37(2)65-10/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45?,48?,49?,50-,51-,52+,53+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345176
((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1cn2ncnc(NC(=O)c3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]3CCCc4ccccc34)c2c1C)C(C)(C)C Show InChI InChI=1S/C64H83N13O8/c1-35-46(58(81)69-43-30-50(60(83)71-48-25-17-21-39-19-13-15-23-45(39)48)76(32-43)62(85)53(64(7,8)9)73-56(79)37(3)66-11)33-77-51(35)54(67-34-68-77)74-57(80)41-27-26-40-29-49(59(82)70-47-24-16-20-38-18-12-14-22-44(38)47)75(31-42(40)28-41)61(84)52(63(4,5)6)72-55(78)36(2)65-10/h12-15,18-19,22-23,26-28,33-34,36-37,43,47-50,52-53,65-66H,16-17,20-21,24-25,29-32H2,1-11H3,(H,69,81)(H,70,82)(H,71,83)(H,72,78)(H,73,79)(H,67,68,74,80)/t36-,37-,43-,47+,48+,49-,50-,52+,53+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345213
(N1-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)NCCO)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C66H87N11O10S/c1-38(67-8)57(80)74-55(65(3,4)5)63(86)77-36-47(34-53(77)62(85)73-51-23-15-19-41-17-11-13-21-49(41)51)71-60(83)43-26-24-42(25-27-43)59(82)70-46-29-28-44-33-52(61(84)72-50-22-14-18-40-16-10-12-20-48(40)50)76(35-45(44)32-46)64(87)56(75-58(81)39(2)68-9)66(6,7)88-37-54(79)69-30-31-78/h10-13,16-17,20-21,24-29,32,38-39,47,50-53,55-56,67-68,78H,14-15,18-19,22-23,30-31,33-37H2,1-9H3,(H,69,79)(H,70,82)(H,71,83)(H,72,84)(H,73,85)(H,74,80)(H,75,81)/t38-,39-,47-,50+,51+,52-,53-,55+,56+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345171
((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1cnc(NC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)s1)C(C)(C)C Show InChI InChI=1S/C60H79N11O8S/c1-33(61-9)50(72)67-48(59(3,4)5)56(78)70-31-39-27-38(26-25-37(39)28-45(70)53(75)65-43-23-15-19-35-17-11-13-21-41(35)43)52(74)69-58-63-30-47(80-58)55(77)64-40-29-46(54(76)66-44-24-16-20-36-18-12-14-22-42(36)44)71(32-40)57(79)49(60(6,7)8)68-51(73)34(2)62-10/h11-14,17-18,21-22,25-27,30,33-34,40,43-46,48-49,61-62H,15-16,19-20,23-24,28-29,31-32H2,1-10H3,(H,64,77)(H,65,75)(H,66,76)(H,67,72)(H,68,73)(H,63,69,74)/t33-,34-,40-,43+,44+,45-,46-,48+,49+/m0/s1 | PDB
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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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345215
(N1-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCCO)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C64H84N10O9S/c1-37(65-8)55(76)71-53(63(3,4)5)61(82)74-36-46(34-52(74)60(81)70-50-23-15-19-40-17-11-13-21-48(40)50)68-58(79)42-26-24-41(25-27-42)57(78)67-45-29-28-43-33-51(59(80)69-49-22-14-18-39-16-10-12-20-47(39)49)73(35-44(43)32-45)62(83)54(64(6,7)84-31-30-75)72-56(77)38(2)66-9/h10-13,16-17,20-21,24-29,32,37-38,46,49-54,65-66,75H,14-15,18-19,22-23,30-31,33-36H2,1-9H3,(H,67,78)(H,68,79)(H,69,80)(H,70,81)(H,71,76)(H,72,77)/t37-,38-,46-,49+,50+,51-,52-,53+,54+/m0/s1 | PDB
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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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345207
(US9783573, Example 57)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2CC(N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SC)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8S/c1-36(64-8)54(74)70-52(62(3,4)5)60(80)73-35-45(33-51(73)59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)67-57(77)41-27-25-40(26-28-41)56(76)66-44-30-29-42-32-50(58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)72(34-43(42)31-44)61(81)53(63(6,7)82-10)71-55(75)37(2)65-9/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45?,48+,49?,50?,51-,52+,53+/m0/s1 | PDB
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| PC cid
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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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345209
(N1-((35,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)CCO)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C67H89N11O10S/c1-39(68-8)58(81)74-56(66(3,4)5)64(87)78-37-48(35-54(78)63(86)73-52-24-16-20-42-18-12-14-22-50(42)52)71-61(84)44-27-25-43(26-28-44)60(83)70-47-30-29-45-34-53(62(85)72-51-23-15-19-41-17-11-13-21-49(41)51)77(36-46(45)33-47)65(88)57(75-59(82)40(2)69-9)67(6,7)89-38-55(80)76(10)31-32-79/h11-14,17-18,21-22,25-30,33,39-40,48,51-54,56-57,68-69,79H,15-16,19-20,23-24,31-32,34-38H2,1-10H3,(H,70,83)(H,71,84)(H,72,85)(H,73,86)(H,74,81)(H,75,82)/t39-,40-,48?,51+,52+,53-,54?,56+,57+/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345214
(N1-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C66H87N11O9S/c1-38(67-8)57(79)73-55(65(3,4)5)63(85)77-36-47(34-53(77)62(84)72-51-25-17-21-41-19-13-15-23-49(41)51)70-60(82)43-28-26-42(27-29-43)59(81)69-46-31-30-44-33-52(61(83)71-50-24-16-20-40-18-12-14-22-48(40)50)76(35-45(44)32-46)64(86)56(74-58(80)39(2)68-9)66(6,7)87-37-54(78)75(10)11/h12-15,18-19,22-23,26-32,38-39,47,50-53,55-56,67-68H,16-17,20-21,24-25,33-37H2,1-11H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)(H,73,79)(H,74,80)/t38-,39-,47-,50+,51+,52-,53-,55+,56+/m0/s1 | PDB
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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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345170
(US9783573, Example 20)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc2sc(NC(=O)c3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)nc2c1)C(C)(C)C |r| Show InChI InChI=1S/C64H81N11O8S/c1-35(65-9)54(76)71-52(63(3,4)5)60(82)74-33-42-29-40(26-25-39(42)31-49(74)58(80)68-46-23-15-19-37-17-11-13-21-44(37)46)57(79)73-62-70-48-30-41(27-28-51(48)84-62)56(78)67-43-32-50(59(81)69-47-24-16-20-38-18-12-14-22-45(38)47)75(34-43)61(83)53(64(6,7)8)72-55(77)36(2)66-10/h11-14,17-18,21-22,25-30,35-36,43,46-47,49-50,52-53,65-66H,15-16,19-20,23-24,31-34H2,1-10H3,(H,67,78)(H,68,80)(H,69,81)(H,71,76)(H,72,77)(H,70,73,79)/t35-,36-,43-,46?,47?,49-,50-,52+,53+/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345163
(N1-((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino...)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(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC(COC)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C62H82N10O9/c1-36(63-9)53(73)69-51(61(3,4)5)59(79)71-33-43-30-44(29-28-42(43)31-49(71)57(77)68-48(35-81-11)39-19-13-12-14-20-39)65-55(75)40-24-26-41(27-25-40)56(76)66-45-32-50(58(78)67-47-23-17-21-38-18-15-16-22-46(38)47)72(34-45)60(80)52(62(6,7)8)70-54(74)37(2)64-10/h12-16,18-20,22,24-30,36-37,45,47-52,63-64H,17,21,23,31-35H2,1-11H3,(H,65,75)(H,66,76)(H,67,78)(H,68,77)(H,69,73)(H,70,74)/t36-,37-,45-,47?,48?,49-,50-,51+,52+/m0/s1 | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345161
(N1-((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino...)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(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC(C)c1ccccc1F)C(C)(C)C |r| Show InChI InChI=1S/C61H79FN10O8/c1-34(44-19-14-15-21-46(44)62)65-56(77)48-30-40-27-28-42(29-41(40)32-71(48)58(79)50(60(4,5)6)69-52(73)35(2)63-10)66-54(75)38-23-25-39(26-24-38)55(76)67-43-31-49(57(78)68-47-22-16-18-37-17-12-13-20-45(37)47)72(33-43)59(80)51(61(7,8)9)70-53(74)36(3)64-11/h12-15,17,19-21,23-29,34-36,43,47-51,63-64H,16,18,22,30-33H2,1-11H3,(H,65,77)(H,66,75)(H,67,76)(H,68,78)(H,69,73)(H,70,74)/t34?,35-,36-,43-,47?,48-,49-,50+,51+/m0/s1 | PDB
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UniChem
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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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345206
(US9783573, Example 56)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCCOC=O)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C65H84N10O10S/c1-38(66-8)56(77)72-54(64(3,4)5)62(83)75-36-47(34-53(75)61(82)71-51-23-15-19-41-17-11-13-21-49(41)51)69-59(80)43-26-24-42(25-27-43)58(79)68-46-29-28-44-33-52(60(81)70-50-22-14-18-40-16-10-12-20-48(40)50)74(35-45(44)32-46)63(84)55(73-57(78)39(2)67-9)65(6,7)86-31-30-85-37-76/h10-13,16-17,20-21,24-29,32,37-39,47,50-55,66-67H,14-15,18-19,22-23,30-31,33-36H2,1-9H3,(H,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,77)(H,73,78)/t38-,39-,47-,50?,51+,52-,53?,54+,55+/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030278
(CHEMBL3339215 | US9783573, Example 38)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(C)(C)C |r| Show InChI InChI=1S/C63H83N9O8/c1-37(64-9)55(73)69-53(62(3,4)5)60(78)71-34-44-31-46(30-29-43(44)32-51(71)58(76)67-49-23-15-19-40-17-11-13-21-47(40)49)80-36-39-25-27-42(28-26-39)57(75)66-45-33-52(59(77)68-50-24-16-20-41-18-12-14-22-48(41)50)72(35-45)61(79)54(63(6,7)8)70-56(74)38(2)65-10/h11-14,17-18,21-22,25-31,37-38,45,49-54,64-65H,15-16,19-20,23-24,32-36H2,1-10H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t37-,38-,45-,49+,50+,51-,52-,53+,54+/m0/s1 | PDB
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UniChem
Patents
Similars
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345211
(N1-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N1CCOCC1)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C68H89N11O10S/c1-40(69-8)59(81)75-57(67(3,4)5)65(87)79-38-49(36-55(79)64(86)74-53-23-15-19-43-17-11-13-21-51(43)53)72-62(84)45-26-24-44(25-27-45)61(83)71-48-29-28-46-35-54(63(85)73-52-22-14-18-42-16-10-12-20-50(42)52)78(37-47(46)34-48)66(88)58(76-60(82)41(2)70-9)68(6,7)90-39-56(80)77-30-32-89-33-31-77/h10-13,16-17,20-21,24-29,34,40-41,49,52-55,57-58,69-70H,14-15,18-19,22-23,30-33,35-39H2,1-9H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)(H,75,81)(H,76,82)/t40-,41-,49-,52+,53+,54-,55-,57+,58+/m0/s1 | PDB
UniProtKB/SwissProt
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PC sid
UniChem
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345208
(US9783573, Example 58)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2CC(N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N1CCCCC1)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C69H91N11O9S/c1-41(70-8)60(82)76-58(68(3,4)5)66(88)80-39-50(37-56(80)65(87)75-54-26-18-22-44-20-12-14-24-52(44)54)73-63(85)46-29-27-45(28-30-46)62(84)72-49-32-31-47-36-55(64(86)74-53-25-17-21-43-19-11-13-23-51(43)53)79(38-48(47)35-49)67(89)59(77-61(83)42(2)71-9)69(6,7)90-40-57(81)78-33-15-10-16-34-78/h11-14,19-20,23-24,27-32,35,41-42,50,53-56,58-59,70-71H,10,15-18,21-22,25-26,33-34,36-40H2,1-9H3,(H,72,84)(H,73,85)(H,74,86)(H,75,87)(H,76,82)(H,77,83)/t41-,42-,50?,53+,54?,55?,56-,58+,59+/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345204
(N4-((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)n1ccc2c(cccc12)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C65H83N11O8/c1-37(66-9)56(77)72-54(64(3,4)5)61(82)75-35-42-32-43(29-28-41(42)33-52(75)59(80)70-49-25-15-20-39-18-11-13-22-45(39)49)68-58(79)48-24-17-27-51-47(48)30-31-74(51)63(84)69-44-34-53(60(81)71-50-26-16-21-40-19-12-14-23-46(40)50)76(36-44)62(83)55(65(6,7)8)73-57(78)38(2)67-10/h11-14,17-19,22-24,27-32,37-38,44,49-50,52-55,66-67H,15-16,20-21,25-26,33-36H2,1-10H3,(H,68,79)(H,69,84)(H,70,80)(H,71,81)(H,72,77)(H,73,78)/t37-,38-,44?,49?,50?,52-,53-,54+,55+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
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antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345210
(N1-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)Nc1nccs1)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C67H84N12O9S2/c1-38(68-8)57(81)76-55(66(3,4)5)63(87)79-36-47(34-53(79)62(86)74-51-23-15-19-41-17-11-13-21-49(41)51)72-60(84)43-26-24-42(25-27-43)59(83)71-46-29-28-44-33-52(61(85)73-50-22-14-18-40-16-10-12-20-48(40)50)78(35-45(44)32-46)64(88)56(77-58(82)39(2)69-9)67(6,7)90-37-54(80)75-65-70-30-31-89-65/h10-13,16-17,20-21,24-32,38-39,47,50-53,55-56,68-69H,14-15,18-19,22-23,33-37H2,1-9H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)(H,76,81)(H,77,82)(H,70,75,80)/t38-,39-,47-,50+,51+,52-,53-,55+,56+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345199
(US9783573, Example 49)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)n1ccc2cc(ccc12)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)C(NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C65H83N11O8/c1-37(66-9)56(77)72-54(64(3,4)5)61(82)75-35-44-32-45(27-25-41(44)33-52(75)59(80)70-49-23-15-19-39-17-11-13-21-47(39)49)68-58(79)43-26-28-51-42(31-43)29-30-74(51)63(84)69-46-34-53(60(81)71-50-24-16-20-40-18-12-14-22-48(40)50)76(36-46)62(83)55(65(6,7)8)73-57(78)38(2)67-10/h11-14,17-18,21-22,25-32,37-38,46,49-50,52-55,66-67H,15-16,19-20,23-24,33-36H2,1-10H3,(H,68,79)(H,69,84)(H,70,80)(H,71,81)(H,72,77)(H,73,78)/t37-,38-,46?,49?,50?,52-,53-,54?,55+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345201
(N4-((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)n1ccc2c(cccc12)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@H](C)c1ccccc1F)C(C)(C)C |r| Show InChI InChI=1S/C63H80FN11O8/c1-35(43-20-14-15-23-47(43)64)67-57(79)50-31-39-26-27-41(30-40(39)33-74(50)59(81)52(62(4,5)6)71-54(76)36(2)65-10)68-56(78)46-22-17-25-49-45(46)28-29-73(49)61(83)69-42-32-51(58(80)70-48-24-16-19-38-18-12-13-21-44(38)48)75(34-42)60(82)53(63(7,8)9)72-55(77)37(3)66-11/h12-15,17-18,20-23,25-30,35-37,42,48,50-53,65-66H,16,19,24,31-34H2,1-11H3,(H,67,79)(H,68,78)(H,69,83)(H,70,80)(H,71,76)(H,72,77)/t35-,36+,37+,42+,48-,50+,51+,52-,53-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345174
((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1cc2ccc(NC(=O)c3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]3CCCc4ccccc34)cc2[nH]1)C(C)(C)C Show InChI InChI=1S/C65H83N11O8/c1-36(66-9)56(77)73-54(64(3,4)5)62(83)75-34-43-29-42(26-25-40(43)31-52(75)60(81)71-48-23-15-19-38-17-11-13-21-46(38)48)58(79)68-44-28-27-41-30-51(70-50(41)32-44)59(80)69-45-33-53(61(82)72-49-24-16-20-39-18-12-14-22-47(39)49)76(35-45)63(84)55(65(6,7)8)74-57(78)37(2)67-10/h11-14,17-18,21-22,25-30,32,36-37,45,48-49,52-55,66-67,70H,15-16,19-20,23-24,31,33-35H2,1-10H3,(H,68,79)(H,69,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t36-,37-,45-,48+,49+,52-,53-,54+,55+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345212
(N1-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)Cc1cccc(F)c1)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C72H90FN11O9S/c1-42(74-8)63(86)80-61(71(3,4)5)69(92)84-40-53(37-59(84)68(91)79-57-27-17-22-46-20-12-14-25-55(46)57)77-66(89)48-30-28-47(29-31-48)65(88)76-52-33-32-49-36-58(67(90)78-56-26-16-21-45-19-11-13-24-54(45)56)83(39-50(49)35-52)70(93)62(81-64(87)43(2)75-9)72(6,7)94-41-60(85)82(10)38-44-18-15-23-51(73)34-44/h11-15,18-20,23-25,28-35,42-43,53,56-59,61-62,74-75H,16-17,21-22,26-27,36-41H2,1-10H3,(H,76,88)(H,77,89)(H,78,90)(H,79,91)(H,80,86)(H,81,87)/t42-,43-,53-,56+,57+,58-,59-,61+,62+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345189
(((S)-7-((4-(((3S,5S)-1-((S)-3,3- Dimethyl-2-((S)-2...)Show SMILES CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCc3ccc(cc3)C(=O)NC3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)ccc2C[C@H]1C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C64H85N9O8/c1-11-66-39(3)57(75)71-54(63(4,5)6)61(79)72-35-45-32-47(31-30-44(45)33-52(72)59(77)68-50-24-16-20-41-18-12-14-22-48(41)50)81-37-40-26-28-43(29-27-40)58(76)67-46-34-53(60(78)69-51-25-17-21-42-19-13-15-23-49(42)51)73(36-46)62(80)55(64(7,8)9)70-56(74)38(2)65-10/h12-15,18-19,22-23,26-32,38-39,46,50-55,65-66H,11,16-17,20-21,24-25,33-37H2,1-10H3,(H,67,76)(H,68,77)(H,69,78)(H,70,74)(H,71,75)/t38-,39-,46?,50?,51?,52-,53-,54+,55+/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345216
(N1-((S)-2-((R)-3-(((5-(tert-Butyl)oxazol-2-yl)meth...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCc1ncc(o1)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C70H91N11O9S/c1-40(71-11)60(82)78-58(69(6,7)8)66(88)81-38-49(35-55(81)65(87)77-53-26-18-22-43-20-14-16-24-51(43)53)75-63(85)45-29-27-44(28-30-45)62(84)74-48-32-31-46-34-54(64(86)76-52-25-17-21-42-19-13-15-23-50(42)52)80(37-47(46)33-48)67(89)59(79-61(83)41(2)72-12)70(9,10)91-39-57-73-36-56(90-57)68(3,4)5/h13-16,19-20,23-24,27-33,36,40-41,49,52-55,58-59,71-72H,17-18,21-22,25-26,34-35,37-39H2,1-12H3,(H,74,84)(H,75,85)(H,76,86)(H,77,87)(H,78,82)(H,79,83)/t40-,41-,49-,52+,53+,54-,55-,58+,59+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/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, C... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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