Found 128 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 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312968
(US9605022, Example 3)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(CCC[C@@H](NC(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@@H]4[C@@H](CCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc4cn(CCC[C@@H](NC(=O)[C@H](Cc5ccc6ccccc6c5)NC(=O)[C@@H]12)C(O)=O)nn4)C(O)=O)nn3)C(C)(C)C |r| Show InChI InChI=1S/C72H96N16O14/c1-41(73-9)61(89)79-59(71(3,4)5)67(95)87-31-27-55-57(87)65(93)77-53(35-43-23-25-45-17-11-13-19-47(45)33-43)63(91)75-51(69(97)98)21-15-30-86-38-50(82-84-86)40-102-56-28-32-88(68(96)60(72(6,7)8)80-62(90)42(2)74-10)58(56)66(94)78-54(36-44-24-26-46-18-12-14-20-48(46)34-44)64(92)76-52(70(99)100)22-16-29-85-37-49(39-101-55)81-83-85/h11-14,17-20,23-26,33-34,37-38,41-42,51-60,73-74H,15-16,21-22,27-32,35-36,39-40H2,1-10H3,(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,79,89)(H,80,90)(H,97,98)(H,99,100)/t41-,42-,51+,52+,53-,54-,55+,56+,57-,58-,59+,60+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312982
(US9605022, Example 15)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@H](C(=O)OC)c3ccc(OCc4cn2nn4)cc3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C#N)C(C)(C)C |r| Show InChI InChI=1S/C80H95N17O12/c1-46(82-9)70(98)88-68(79(3,4)5)76(104)94-34-32-63-66(94)74(102)85-61(39-49-20-24-51-16-12-14-18-54(51)36-49)72(100)84-56(41-81)38-48-22-28-59(29-23-48)108-44-57-42-96(92-90-57)64-33-35-95(77(105)69(80(6,7)8)89-71(99)47(2)83-10)67(64)75(103)86-62(40-50-21-25-52-17-13-15-19-55(52)37-50)73(101)87-65(78(106)107-11)53-26-30-60(31-27-53)109-45-58-43-97(63)93-91-58/h12-31,36-37,42-43,46-47,56,61-69,82-83H,32-35,38-40,44-45H2,1-11H3,(H,84,100)(H,85,102)(H,86,103)(H,87,101)(H,88,98)(H,89,99)/t46-,47-,56-,61-,62-,63+,64+,65-,66?,67-,68+,69+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312990
(US9605022, Example 19)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=O)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312988
(US9605022, Example 17)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=S)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312987
(US9605022, Example 16)Show SMILES COC(=O)[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n2cc(COc3ccc(C[C@H](NC(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@@H]4[C@@H](CCN4C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n4cc(COc5ccc1cc5)nn4)C#N)cc3)nn2 |r| Show InChI InChI=1S/C90H111N17O16/c1-52(102(15)85(117)122-89(9,10)11)76(108)96-74(87(3,4)5)82(114)104-40-38-69-72(104)80(112)93-67(45-55-26-30-57-22-18-20-24-60(57)42-55)78(110)92-62(47-91)44-54-28-34-65(35-29-54)120-50-63-48-106(100-98-63)70-39-41-105(83(115)75(88(6,7)8)97-77(109)53(2)103(16)86(118)123-90(12,13)14)73(70)81(113)94-68(46-56-27-31-58-23-19-21-25-61(58)43-56)79(111)95-71(84(116)119-17)59-32-36-66(37-33-59)121-51-64-49-107(69)101-99-64/h18-37,42-43,48-49,52-53,62,67-75H,38-41,44-46,50-51H2,1-17H3,(H,92,110)(H,93,112)(H,94,113)(H,95,111)(H,96,108)(H,97,109)/t52-,53-,62-,67-,68-,69+,70+,71-,72?,73-,74+,75+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312966
(US9605022, Example 1)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C80H96N16O14/c1-45(81-9)69(97)87-67(79(3,4)5)75(103)93-33-31-63-65(93)73(101)83-59(39-49-19-25-51-15-11-13-17-53(51)35-49)71(99)85-61(77(105)106)37-47-23-29-58(30-24-47)110-44-56-42-96(92-90-56)64-32-34-94(76(104)68(80(6,7)8)88-70(98)46(2)82-10)66(64)74(102)84-60(40-50-20-26-52-16-12-14-18-54(52)36-50)72(100)86-62(78(107)108)38-48-21-27-57(28-22-48)109-43-55-41-95(63)91-89-55/h11-30,35-36,41-42,45-46,59-68,81-82H,31-34,37-40,43-44H2,1-10H3,(H,83,101)(H,84,102)(H,85,99)(H,86,100)(H,87,97)(H,88,98)(H,105,106)(H,107,108)/t45-,46-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312981
(US9605022, Example 14)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)c1n[nH]c(=O)o1)C(C)(C)C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312973
(US9605022, Example 8)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCc2cc(F)c(O)c(F)c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C89H103F2N17O15/c1-49(92-9)78(111)99-76(88(3,4)5)85(118)105-33-31-70-73(105)83(116)96-68(42-54-20-26-57-16-12-14-18-59(57)36-54)82(115)97-69(87(120)121)41-52-23-29-64(30-24-52)123-48-62-46-108(104-102-62)71-32-34-106(86(119)77(89(6,7)8)100-79(112)50(2)93-10)74(71)84(117)98-72(109)43-60(37-53-19-25-56-15-11-13-17-58(56)35-53)80(113)95-67(81(114)94-44-55-38-65(90)75(110)66(91)39-55)40-51-21-27-63(28-22-51)122-47-61-45-107(70)103-101-61/h11-30,35-36,38-39,45-46,49-50,60,67-71,73-74,76-77,92-93,110H,31-34,37,40-44,47-48H2,1-10H3,(H,94,114)(H,95,113)(H,96,116)(H,97,115)(H,99,111)(H,100,112)(H,120,121)(H,98,109,117)/t49-,50-,60+,67-,68-,69-,70+,71+,73-,74-,76+,77+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 10 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312991
(US9605022, Example 20)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=O)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312977
(US9605022, Example 11)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NS(=O)(=O)C2CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C83H101N17O15S/c1-47(84-9)72(101)90-70(82(3,4)5)79(108)97-35-33-66-68(97)77(106)87-62(41-51-19-25-53-15-11-13-17-55(53)37-51)74(103)86-64(76(105)94-116(112,113)61-31-32-61)39-49-21-27-59(28-22-49)114-45-57-43-100(96-92-57)67-34-36-98(80(109)71(83(6,7)8)91-73(102)48(2)85-10)69(67)78(107)88-63(42-52-20-26-54-16-12-14-18-56(54)38-52)75(104)89-65(81(110)111)40-50-23-29-60(30-24-50)115-46-58-44-99(66)95-93-58/h11-30,37-38,43-44,47-48,61-71,84-85H,31-36,39-42,45-46H2,1-10H3,(H,86,103)(H,87,106)(H,88,107)(H,89,104)(H,90,101)(H,91,102)(H,94,105)(H,110,111)/t47-,48-,62-,63-,64-,65-,66+,67+,68-,69-,70+,71+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312978
(US9605022, Example 12)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NS(=O)(=O)C2CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C83H101N17O15S/c1-47(84-9)72(101)90-70(82(3,4)5)79(108)97-35-33-66-68(97)77(106)87-62(41-51-19-25-53-15-11-13-17-55(53)37-51)74(103)86-64(76(105)94-116(112,113)61-31-32-61)39-49-21-27-59(28-22-49)114-45-57-43-100(96-92-57)67-34-36-98(80(109)71(83(6,7)8)91-73(102)48(2)85-10)69(67)78(107)88-63(42-52-20-26-54-16-12-14-18-56(54)38-52)75(104)89-65(81(110)111)40-50-23-29-60(30-24-50)115-46-58-44-99(66)95-93-58/h11-30,37-38,43-44,47-48,61-71,84-85H,31-36,39-42,45-46H2,1-10H3,(H,86,103)(H,87,106)(H,88,107)(H,89,104)(H,90,101)(H,91,102)(H,94,105)(H,110,111)/t47-,48-,62+,63-,64-,65-,66+,67+,68-,69-,70+,71+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312979
(US9605022, Example 13)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCC[C@@H](O)C[C@@H](O)CC(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C89H111N17O18/c1-50(90-9)78(112)97-76(88(3,4)5)85(119)103-35-32-70-74(103)83(117)94-68(42-55-20-26-57-16-12-14-18-59(57)38-55)82(116)95-69(87(121)122)41-53-23-29-66(30-24-53)124-49-62-47-106(102-100-62)71-33-36-104(86(120)77(89(6,7)8)98-79(113)51(2)91-10)75(71)84(118)96-72(109)43-60(39-54-19-25-56-15-11-13-17-58(56)37-54)80(114)93-67(81(115)92-34-31-63(107)44-64(108)45-73(110)111)40-52-21-27-65(28-22-52)123-48-61-46-105(70)101-99-61/h11-30,37-38,46-47,50-51,60,63-64,67-71,74-77,90-91,107-108H,31-36,39-45,48-49H2,1-10H3,(H,92,115)(H,93,114)(H,94,117)(H,95,116)(H,97,112)(H,98,113)(H,110,111)(H,121,122)(H,96,109,118)/t50-,51-,60+,63+,64+,67-,68-,69-,70+,71+,74-,75-,76+,77+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 12.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312975
(US9605022, Example 9)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCc2cc(F)c(O)c(F)c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(=O)OC)C(C)(C)C |r| Show InChI InChI=1S/C90H105F2N17O15/c1-50(93-9)79(112)100-77(89(3,4)5)86(119)106-34-32-71-74(106)84(117)97-69(43-55-21-27-58-17-13-15-19-60(58)37-55)83(116)98-70(88(121)122-11)42-53-24-30-65(31-25-53)124-49-63-47-109(105-103-63)72-33-35-107(87(120)78(90(6,7)8)101-80(113)51(2)94-10)75(72)85(118)99-73(110)44-61(38-54-20-26-57-16-12-14-18-59(57)36-54)81(114)96-68(82(115)95-45-56-39-66(91)76(111)67(92)40-56)41-52-22-28-64(29-23-52)123-48-62-46-108(71)104-102-62/h12-31,36-37,39-40,46-47,50-51,61,68-72,74-75,77-78,93-94,111H,32-35,38,41-45,48-49H2,1-11H3,(H,95,115)(H,96,114)(H,97,117)(H,98,116)(H,100,112)(H,101,113)(H,99,110,118)/t50-,51-,61+,68-,69-,70-,71+,72+,74-,75-,77+,78+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 13.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 14 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 14 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 14 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312971
(US9605022, Example 6)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)OC)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C |r| Show InChI InChI=1S/C84H103N17O15S/c1-48(85-9)73(102)91-71(83(3,4)5)80(109)98-36-34-67-69(98)78(107)88-63(42-52-20-26-54-16-12-14-18-56(54)38-52)75(104)87-65(77(106)95-117(112,113)62-32-33-62)40-50-22-28-60(29-23-50)115-46-58-44-101(97-93-58)68-35-37-99(81(110)72(84(6,7)8)92-74(103)49(2)86-10)70(68)79(108)89-64(43-53-21-27-55-17-13-15-19-57(55)39-53)76(105)90-66(82(111)114-11)41-51-24-30-61(31-25-51)116-47-59-45-100(67)96-94-59/h12-31,38-39,44-45,48-49,62-72,85-86H,32-37,40-43,46-47H2,1-11H3,(H,87,104)(H,88,107)(H,89,108)(H,90,105)(H,91,102)(H,92,103)(H,95,106)/t48-,49-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 14.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312967
(US9605022, Example 2)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(CC[C@@H](NC(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@@H]4[C@@H](CCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc4cn(CC[C@@H](NC(=O)[C@H](Cc5ccc6ccccc6c5)NC(=O)[C@@H]12)C(O)=O)nn4)C(O)=O)nn3)C(C)(C)C |r| Show InChI InChI=1S/C70H92N16O14/c1-39(71-9)59(87)77-57(69(3,4)5)65(93)85-29-25-53-55(85)63(91)75-51(33-41-19-21-43-15-11-13-17-45(43)31-41)61(89)73-49(67(95)96)23-28-84-36-48(80-82-84)38-100-54-26-30-86(66(94)58(70(6,7)8)78-60(88)40(2)72-10)56(54)64(92)76-52(34-42-20-22-44-16-12-14-18-46(44)32-42)62(90)74-50(68(97)98)24-27-83-35-47(37-99-53)79-81-83/h11-22,31-32,35-36,39-40,49-58,71-72H,23-30,33-34,37-38H2,1-10H3,(H,73,89)(H,74,90)(H,75,91)(H,76,92)(H,77,87)(H,78,88)(H,95,96)(H,97,98)/t39-,40-,49+,50+,51-,52-,53+,54+,55-,56-,57+,58+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 16.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 17 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 17 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 17 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| n/a | n/a | 23 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 23 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 28 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312972
(US9605022, Example 7)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)OC)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C81H98N14O13/c1-47(82-9)72(97)86-70(80(3,4)5)76(101)92-34-32-65-68(92)62(39-52-21-27-54-17-13-15-19-56(54)37-52)75(100)84-63(78(103)104)40-49-22-28-60(29-23-49)108-46-59-44-95(91-89-59)66-33-35-93(77(102)71(81(6,7)8)87-73(98)48(2)83-10)69(66)67(96)42-57(38-51-20-26-53-16-12-14-18-55(53)36-51)74(99)85-64(79(105)106-11)41-50-24-30-61(31-25-50)107-45-58-43-94(65)90-88-58/h12-31,36-37,43-44,47-48,57,62-66,68-71,82-83H,32-35,38-42,45-46H2,1-11H3,(H,84,100)(H,85,99)(H,86,97)(H,87,98)(H,103,104)/t47-,48-,57+,62+,63-,64-,65+,66+,68+,69-,70+,71+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312090
(US9603889, Example 2)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN(CCc2ccccc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H81N9O7/c1-38(62-9)53(71)66-51(60(3,4)5)58(76)69-36-45-23-15-14-22-44(45)33-50(69)57(75)68(32-31-40-19-12-11-13-20-40)35-41-27-29-43(30-28-41)55(73)64-46-34-49(56(74)65-48-26-18-24-42-21-16-17-25-47(42)48)70(37-46)59(77)52(61(6,7)8)67-54(72)39(2)63-10/h11-17,19-23,25,27-30,38-39,46,48-52,62-63H,18,24,26,31-37H2,1-10H3,(H,64,73)(H,65,74)(H,66,71)(H,67,72)/t38-,39-,46?,48+,49-,50-,51+,52+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 30 | 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 N-His-Tb-BIR3(241-356,... |
US Patent US9603889 (2017)
BindingDB Entry DOI: 10.7270/Q2C53NXV |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 31 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345182
(US9783573, Example 32)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(C)=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(C)(C)C |r| Show InChI InChI=1S/C65H86N10O8/c1-38(66-10)57(77)71-55(64(4,5)6)62(82)74-36-46-32-48(31-30-45(46)33-53(74)60(80)69-51-24-16-20-42-18-12-14-22-49(42)51)73(40(3)76)35-41-26-28-44(29-27-41)59(79)68-47-34-54(61(81)70-52-25-17-21-43-19-13-15-23-50(43)52)75(37-47)63(83)56(65(7,8)9)72-58(78)39(2)67-11/h12-15,18-19,22-23,26-32,38-39,47,51-56,66-67H,16-17,20-21,24-25,33-37H2,1-11H3,(H,68,79)(H,69,80)(H,70,81)(H,71,77)(H,72,78)/t38-,39-,47?,51?,52?,53-,54-,55+,56+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 35 | 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 N-His-Tb-BIR3 (241-356... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 37 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345180
(US9783573, Example 30)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CO[C@@H]2CCN([C@@H](C2)C(=O)NC2CCCc3ccccc23)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C59H83N9O8/c1-35(60-9)51(69)65-49(58(3,4)5)56(74)67-30-29-42(32-48(67)55(73)64-46-24-16-20-39-18-12-14-22-44(39)46)76-34-37-25-27-40(28-26-37)53(71)62-41-31-47(54(72)63-45-23-15-19-38-17-11-13-21-43(38)45)68(33-41)57(75)50(59(6,7)8)66-52(70)36(2)61-10/h11-14,17-18,21-22,25-28,35-36,41-42,45-50,60-61H,15-16,19-20,23-24,29-34H2,1-10H3,(H,62,71)(H,63,72)(H,64,73)(H,65,69)(H,66,70)/t35-,36-,41?,42+,45?,46?,47-,48-,49+,50+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 38 | 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 N-His-Tb-BIR3 (241-356... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312102
((S)-N-Benzyl-2- ((S)-3,3- dimethyl-2-((S)- 2-(meth...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)C(NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C60H79N9O7/c1-37(61-9)52(70)65-50(59(3,4)5)57(75)68-35-44-23-15-14-22-43(44)31-49(68)56(74)67(33-39-19-12-11-13-20-39)34-40-27-29-42(30-28-40)54(72)63-45-32-48(55(73)64-47-26-18-24-41-21-16-17-25-46(41)47)69(36-45)58(76)51(60(6,7)8)66-53(71)38(2)62-10/h11-17,19-23,25,27-30,37-38,45,47-51,61-62H,18,24,26,31-36H2,1-10H3,(H,63,72)(H,64,73)(H,65,70)(H,66,71)/t37-,38-,45?,47?,48-,49-,50?,51+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 40 | 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 N-His-Tb-BIR3(241-356,... |
US Patent US9603889 (2017)
BindingDB Entry DOI: 10.7270/Q2C53NXV |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312103
((S)-2-((S)- 3,3-Dimethyl- 2-((S)-2-(methyl- amino)...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(Cc2ccc3ccccc3c2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C64H81N9O7/c1-39(65-9)56(74)69-54(63(3,4)5)61(79)72-37-48-22-14-13-21-47(48)33-53(72)60(78)71(36-42-28-29-43-18-11-12-20-46(43)32-42)35-41-26-30-45(31-27-41)58(76)67-49-34-52(59(77)68-51-25-17-23-44-19-15-16-24-50(44)51)73(38-49)62(80)55(64(6,7)8)70-57(75)40(2)66-10/h11-16,18-22,24,26-32,39-40,49,51-55,65-66H,17,23,25,33-38H2,1-10H3,(H,67,76)(H,68,77)(H,69,74)(H,70,75)/t39-,40-,49?,51?,52-,53-,54+,55+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 40 | 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 N-His-Tb-BIR3(241-356,... |
US Patent US9603889 (2017)
BindingDB Entry DOI: 10.7270/Q2C53NXV |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 42 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345202
((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)OCc1cccc(c1)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/C63H83N9O8/c1-37(64-9)55(73)69-53(62(3,4)5)60(78)71-34-44-31-45(29-28-42(44)32-51(71)58(76)67-49-26-16-21-40-19-11-13-24-47(40)49)66-57(75)43-23-15-18-39(30-43)36-80-46-33-52(59(77)68-50-27-17-22-41-20-12-14-25-48(41)50)72(35-46)61(79)54(63(6,7)8)70-56(74)38(2)65-10/h11-15,18-20,23-25,28-31,37-38,46,49-54,64-65H,16-17,21-22,26-27,32-36H2,1-10H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t37-,38-,46-,49+,50+,51-,52-,53+,54+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 42 | 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 N-His-Tb-BIR3 (241-356... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| n/a | n/a | 45 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM312970
(US9605022, Example 5)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)[C@@H](CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)[C@@H](CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]12)C(=O)NS(C)(=O)=O)C(=O)NS(C)(=O)=O)C(C)(C)C |r| Show InChI InChI=1S/C74H102N18O16S2/c1-43(75-9)63(93)81-61(73(3,4)5)71(101)89-33-29-57-59(89)69(99)79-53(37-45-25-27-47-19-13-15-21-49(47)35-45)65(95)77-31-17-23-56(68(98)86-110(12,105)106)92-40-52(84-88-92)42-108-58-30-34-90(72(102)62(74(6,7)8)82-64(94)44(2)76-10)60(58)70(100)80-54(38-46-26-28-48-20-14-16-22-50(48)36-46)66(96)78-32-18-24-55(67(97)85-109(11,103)104)91-39-51(41-107-57)83-87-91/h13-16,19-22,25-28,35-36,39-40,43-44,53-62,75-76H,17-18,23-24,29-34,37-38,41-42H2,1-12H3,(H,77,95)(H,78,96)(H,79,99)(H,80,100)(H,81,93)(H,82,94)(H,85,97)(H,86,98)/t43-,44-,53-,54-,55-,56-,57+,58+,59-,60-,61+,62+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corporation
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, XIA... |
US Patent US9605022 (2017)
BindingDB Entry DOI: 10.7270/Q2959KMN |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 51 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345200
((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)OCc1ccc(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](C)c1ccccc1F)C(C)(C)C |r| Show InChI InChI=1S/C61H80FN9O8/c1-35(45-19-14-15-21-47(45)62)65-56(75)49-30-41-27-28-43(29-42(41)32-70(49)58(77)51(60(4,5)6)68-53(72)36(2)63-10)66-55(74)40-25-23-38(24-26-40)34-79-44-31-50(57(76)67-48-22-16-18-39-17-12-13-20-46(39)48)71(33-44)59(78)52(61(7,8)9)69-54(73)37(3)64-11/h12-15,17,19-21,23-29,35-37,44,48-52,63-64H,16,18,22,30-34H2,1-11H3,(H,65,75)(H,66,74)(H,67,76)(H,68,72)(H,69,73)/t35-,36+,37+,44+,48-,49+,50+,51-,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 53 | 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 N-His-Tb-BIR3 (241-356... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345154
(N-((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)N(C(=O)C1(CC1)C(N)=O)c1ccc2C[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 Show InChI InChI=1S/C60H82N10O8/c1-34(62-9)50(71)66-48(58(3,4)5)54(75)68-32-39-29-40(26-25-38(39)30-46(68)52(73)64-44-23-15-19-36-17-11-13-21-42(36)44)70(57(78)60(27-28-60)56(61)77)41-31-47(53(74)65-45-24-16-20-37-18-12-14-22-43(37)45)69(33-41)55(76)49(59(6,7)8)67-51(72)35(2)63-10/h11-14,17-18,21-22,25-26,29,34-35,41,44-49,62-63H,15-16,19-20,23-24,27-28,30-33H2,1-10H3,(H2,61,77)(H,64,73)(H,65,74)(H,66,71)(H,67,72)/t34-,35-,41-,44+,45+,46-,47-,48+,49+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 53 | 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 N-His-Tb-BIR3 (241-356... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 54 | 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-BIR3 (241-356, XIA... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM345167
(US9783573, Example 17)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)C(F)(F)C(F)(F)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/C59H78F4N10O8/c1-32(64-9)48(74)70-46(56(3,4)5)52(78)72-30-37-27-38(26-25-36(37)28-44(72)50(76)68-42-23-15-19-34-17-11-13-21-40(34)42)66-54(80)58(60,61)59(62,63)55(81)67-39-29-45(51(77)69-43-24-16-20-35-18-12-14-22-41(35)43)73(31-39)53(79)47(57(6,7)8)71-49(75)33(2)65-10/h11-14,17-18,21-22,25-27,32-33,39,42-47,64-65H,15-16,19-20,23-24,28-31H2,1-10H3,(H,66,80)(H,67,81)(H,68,76)(H,69,77)(H,70,74)(H,71,75)/t32-,33-,39-,42?,43?,44-,45-,46+,47+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 56 | 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 N-His-Tb-BIR3 (241-356... |
US Patent US9783573 (2017)
BindingDB Entry DOI: 10.7270/Q24B33FH |
More data for this
Ligand-Target Pair | |
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