Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50042890 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432760
(CHEMBL2348620)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C69H80N12O8/c1-44(70-3)62(82)74-56-42-78(39-37-54-33-35-58(80(54)66(56)86)64(84)76-60(48-17-9-5-10-18-48)49-19-11-6-12-20-49)68(88)72-52-29-25-46(26-30-52)41-47-27-31-53(32-28-47)73-69(89)79-40-38-55-34-36-59(81(55)67(87)57(43-79)75-63(83)45(2)71-4)65(85)77-61(50-21-13-7-14-22-50)51-23-15-8-16-24-51/h5-32,44-45,54-61,70-71H,33-43H2,1-4H3,(H,72,88)(H,73,89)(H,74,82)(H,75,83)(H,76,84)(H,77,85)/t44-,45-,54+,55+,56-,57-,58-,59-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432754
(CHEMBL2348614)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Cc1ccc(CC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C64H76N10O8/c1-41(65-3)59(77)67-51-39-71(35-33-49-29-31-53(73(49)63(51)81)61(79)69-57(45-17-9-5-10-18-45)46-19-11-6-12-20-46)55(75)37-43-25-27-44(28-26-43)38-56(76)72-36-34-50-30-32-54(74(50)64(82)52(40-72)68-60(78)42(2)66-4)62(80)70-58(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,41-42,49-54,57-58,65-66H,29-40H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t41-,42-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432759
(CHEMBL2348619)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C68H78N12O9/c1-43(69-3)61(81)73-55-41-77(39-37-51-29-35-57(79(51)65(55)85)63(83)75-59(45-17-9-5-10-18-45)46-19-11-6-12-20-46)67(87)71-49-25-31-53(32-26-49)89-54-33-27-50(28-34-54)72-68(88)78-40-38-52-30-36-58(80(52)66(86)56(42-78)74-62(82)44(2)70-4)64(84)76-60(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,31-34,43-44,51-52,55-60,69-70H,29-30,35-42H2,1-4H3,(H,71,87)(H,72,88)(H,73,81)(H,74,82)(H,75,83)(H,76,84)/t43-,44-,51+,52+,55-,56-,57-,58-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432753
(CHEMBL2348613)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCc1ccc(CCC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C66H80N10O8/c1-43(67-3)61(79)69-53-41-73(39-37-51-31-33-55(75(51)65(53)83)63(81)71-59(47-17-9-5-10-18-47)48-19-11-6-12-20-48)57(77)35-29-45-25-27-46(28-26-45)30-36-58(78)74-40-38-52-32-34-56(76(52)66(84)54(42-74)70-62(80)44(2)68-4)64(82)72-60(49-21-13-7-14-22-49)50-23-15-8-16-24-50/h5-28,43-44,51-56,59-60,67-68H,29-42H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t43-,44-,51+,52+,53-,54-,55-,56-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432758
(CHEMBL2348618)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r,wU:38.41,50.59,53.72,57.65,62.69,wD:41.48,12.16,7.6,2.2,15.20,(49.77,-12.92,;51.31,-12.89,;52.07,-11.55,;53.61,-11.53,;51.28,-10.23,;52.03,-8.88,;49.74,-10.25,;48.95,-8.93,;49.87,-7.69,;49.64,-6.16,;48.41,-5.25,;46.89,-5.47,;45.97,-6.7,;44.45,-6.45,;43.73,-7.81,;44.81,-8.91,;46.19,-8.23,;47.42,-9.15,;47.04,-10.64,;44.55,-10.43,;45.74,-11.42,;43.11,-10.97,;41.77,-10.2,;41.77,-8.66,;43.1,-7.89,;43.1,-6.35,;41.77,-5.58,;40.44,-6.36,;40.44,-7.9,;40.45,-10.97,;39.12,-10.19,;37.79,-10.96,;37.78,-12.5,;39.14,-13.28,;40.46,-12.5,;50.97,-5.37,;50.95,-3.83,;52.31,-6.12,;53.85,-6.12,;54.61,-4.79,;56.15,-4.78,;56.92,-6.12,;56.15,-7.44,;54.62,-7.44,;58.46,-6.12,;59.79,-5.33,;59.79,-3.79,;61.13,-6.09,;62.36,-5.14,;63.88,-5.33,;64.83,-6.55,;66.33,-6.27,;67.07,-7.61,;66.02,-8.72,;64.64,-8.07,;63.41,-9.02,;63.82,-10.51,;61.89,-8.83,;60.94,-7.61,;61.13,-10.17,;59.59,-10.18,;58.81,-8.85,;58.82,-11.51,;57.28,-11.52,;59.6,-12.84,;58.84,-14.18,;66.31,-10.23,;65.14,-11.24,;67.76,-10.74,;68.05,-12.25,;66.74,-13.05,;65.39,-12.31,;64.07,-13.12,;64.11,-14.66,;65.47,-15.39,;66.78,-14.59,;69.4,-12.99,;69.43,-14.53,;70.78,-15.27,;72.1,-14.47,;72.06,-12.92,;70.71,-12.19,)| Show InChI InChI=1S/C62H80N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-24,39-40,45-54,63-64H,25-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432762
(CHEMBL2348622)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(34-32-47-28-30-51(73(47)59(49)79)57(77)69-53(41-18-9-5-10-19-41)42-20-11-6-12-21-42)61(81)65-45-26-17-27-46(36-45)66-62(82)72-35-33-48-29-31-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-22-13-7-14-23-43)44-24-15-8-16-25-44/h5-27,36,39-40,47-54,63-64H,28-35,37-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432759
(CHEMBL2348619)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C68H78N12O9/c1-43(69-3)61(81)73-55-41-77(39-37-51-29-35-57(79(51)65(55)85)63(83)75-59(45-17-9-5-10-18-45)46-19-11-6-12-20-46)67(87)71-49-25-31-53(32-26-49)89-54-33-27-50(28-34-54)72-68(88)78-40-38-52-30-36-58(80(52)66(86)56(42-78)74-62(82)44(2)70-4)64(84)76-60(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,31-34,43-44,51-52,55-60,69-70H,29-30,35-42H2,1-4H3,(H,71,87)(H,72,88)(H,73,81)(H,74,82)(H,75,83)(H,76,84)/t43-,44-,51+,52+,55-,56-,57-,58-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432763
(CHEMBL2348623)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-28,39-40,47-54,63-64H,29-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432756
(CHEMBL2348616)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C60H78N12O8/c1-39(61-3)53(73)65-47-37-69(35-31-45-27-29-49(71(45)57(47)77)55(75)67-51(41-19-9-5-10-20-41)42-21-11-6-12-22-42)59(79)63-33-17-18-34-64-60(80)70-36-32-46-28-30-50(72(46)58(78)48(38-70)66-54(74)40(2)62-4)56(76)68-52(43-23-13-7-14-24-43)44-25-15-8-16-26-44/h5-16,19-26,39-40,45-52,61-62H,17-18,27-38H2,1-4H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432757
(CHEMBL2348617)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N1CCN(CC1)C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C60H76N12O8/c1-39(61-3)53(73)63-47-37-69(31-29-45-25-27-49(71(45)57(47)77)55(75)65-51(41-17-9-5-10-18-41)42-19-11-6-12-20-42)59(79)67-33-35-68(36-34-67)60(80)70-32-30-46-26-28-50(72(46)58(78)48(38-70)64-54(74)40(2)62-4)56(76)66-52(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-24,39-40,45-52,61-62H,25-38H2,1-4H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432761
(CHEMBL2348621)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCc1cccc(CNC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C64H78N12O8/c1-41(65-3)57(77)69-51-39-73(34-32-49-28-30-53(75(49)61(51)81)59(79)71-55(45-20-9-5-10-21-45)46-22-11-6-12-23-46)63(83)67-37-43-18-17-19-44(36-43)38-68-64(84)74-35-33-50-29-31-54(76(50)62(82)52(40-74)70-58(78)42(2)66-4)60(80)72-56(47-24-13-7-14-25-47)48-26-15-8-16-27-48/h5-27,36,41-42,49-56,65-66H,28-35,37-40H2,1-4H3,(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)/t41-,42-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
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| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432760
(CHEMBL2348620)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C69H80N12O8/c1-44(70-3)62(82)74-56-42-78(39-37-54-33-35-58(80(54)66(56)86)64(84)76-60(48-17-9-5-10-18-48)49-19-11-6-12-20-49)68(88)72-52-29-25-46(26-30-52)41-47-27-31-53(32-28-47)73-69(89)79-40-38-55-34-36-59(81(55)67(87)57(43-79)75-63(83)45(2)71-4)65(85)77-61(50-21-13-7-14-22-50)51-23-15-8-16-24-51/h5-32,44-45,54-61,70-71H,33-43H2,1-4H3,(H,72,88)(H,73,89)(H,74,82)(H,75,83)(H,76,84)(H,77,85)/t44-,45-,54+,55+,56-,57-,58-,59-/m0/s1 | PDB
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| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432754
(CHEMBL2348614)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Cc1ccc(CC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C64H76N10O8/c1-41(65-3)59(77)67-51-39-71(35-33-49-29-31-53(73(49)63(51)81)61(79)69-57(45-17-9-5-10-18-45)46-19-11-6-12-20-46)55(75)37-43-25-27-44(28-26-43)38-56(76)72-36-34-50-30-32-54(74(50)64(82)52(40-72)68-60(78)42(2)66-4)62(80)70-58(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,41-42,49-54,57-58,65-66H,29-40H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t41-,42-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432758
(CHEMBL2348618)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r,wU:38.41,50.59,53.72,57.65,62.69,wD:41.48,12.16,7.6,2.2,15.20,(49.77,-12.92,;51.31,-12.89,;52.07,-11.55,;53.61,-11.53,;51.28,-10.23,;52.03,-8.88,;49.74,-10.25,;48.95,-8.93,;49.87,-7.69,;49.64,-6.16,;48.41,-5.25,;46.89,-5.47,;45.97,-6.7,;44.45,-6.45,;43.73,-7.81,;44.81,-8.91,;46.19,-8.23,;47.42,-9.15,;47.04,-10.64,;44.55,-10.43,;45.74,-11.42,;43.11,-10.97,;41.77,-10.2,;41.77,-8.66,;43.1,-7.89,;43.1,-6.35,;41.77,-5.58,;40.44,-6.36,;40.44,-7.9,;40.45,-10.97,;39.12,-10.19,;37.79,-10.96,;37.78,-12.5,;39.14,-13.28,;40.46,-12.5,;50.97,-5.37,;50.95,-3.83,;52.31,-6.12,;53.85,-6.12,;54.61,-4.79,;56.15,-4.78,;56.92,-6.12,;56.15,-7.44,;54.62,-7.44,;58.46,-6.12,;59.79,-5.33,;59.79,-3.79,;61.13,-6.09,;62.36,-5.14,;63.88,-5.33,;64.83,-6.55,;66.33,-6.27,;67.07,-7.61,;66.02,-8.72,;64.64,-8.07,;63.41,-9.02,;63.82,-10.51,;61.89,-8.83,;60.94,-7.61,;61.13,-10.17,;59.59,-10.18,;58.81,-8.85,;58.82,-11.51,;57.28,-11.52,;59.6,-12.84,;58.84,-14.18,;66.31,-10.23,;65.14,-11.24,;67.76,-10.74,;68.05,-12.25,;66.74,-13.05,;65.39,-12.31,;64.07,-13.12,;64.11,-14.66,;65.47,-15.39,;66.78,-14.59,;69.4,-12.99,;69.43,-14.53,;70.78,-15.27,;72.1,-14.47,;72.06,-12.92,;70.71,-12.19,)| Show InChI InChI=1S/C62H80N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-24,39-40,45-54,63-64H,25-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
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PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432763
(CHEMBL2348623)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-28,39-40,47-54,63-64H,29-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
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PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432757
(CHEMBL2348617)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N1CCN(CC1)C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C60H76N12O8/c1-39(61-3)53(73)63-47-37-69(31-29-45-25-27-49(71(45)57(47)77)55(75)65-51(41-17-9-5-10-18-41)42-19-11-6-12-20-42)59(79)67-33-35-68(36-34-67)60(80)70-32-30-46-26-28-50(72(46)58(78)48(38-70)64-54(74)40(2)62-4)56(76)66-52(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-24,39-40,45-52,61-62H,25-38H2,1-4H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1 | PDB
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| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432762
(CHEMBL2348622)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(34-32-47-28-30-51(73(47)59(49)79)57(77)69-53(41-18-9-5-10-19-41)42-20-11-6-12-21-42)61(81)65-45-26-17-27-46(36-45)66-62(82)72-35-33-48-29-31-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-22-13-7-14-23-43)44-24-15-8-16-25-44/h5-27,36,39-40,47-54,63-64H,28-35,37-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
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| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432756
(CHEMBL2348616)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C60H78N12O8/c1-39(61-3)53(73)65-47-37-69(35-31-45-27-29-49(71(45)57(47)77)55(75)67-51(41-19-9-5-10-20-41)42-21-11-6-12-22-42)59(79)63-33-17-18-34-64-60(80)70-36-32-46-28-30-50(72(46)58(78)48(38-70)66-54(74)40(2)62-4)56(76)68-52(43-23-13-7-14-24-43)44-25-15-8-16-26-44/h5-16,19-26,39-40,45-52,61-62H,17-18,27-38H2,1-4H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1 | PDB
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| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432761
(CHEMBL2348621)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCc1cccc(CNC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C64H78N12O8/c1-41(65-3)57(77)69-51-39-73(34-32-49-28-30-53(75(49)61(51)81)59(79)71-55(45-20-9-5-10-21-45)46-22-11-6-12-23-46)63(83)67-37-43-18-17-19-44(36-43)38-68-64(84)74-35-33-50-29-31-54(76(50)62(82)52(40-74)70-58(78)42(2)66-4)60(80)72-56(47-24-13-7-14-25-47)48-26-15-8-16-27-48/h5-27,36,41-42,49-56,65-66H,28-35,37-40H2,1-4H3,(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)/t41-,42-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
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| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432754
(CHEMBL2348614)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Cc1ccc(CC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C64H76N10O8/c1-41(65-3)59(77)67-51-39-71(35-33-49-29-31-53(73(49)63(51)81)61(79)69-57(45-17-9-5-10-18-45)46-19-11-6-12-20-46)55(75)37-43-25-27-44(28-26-43)38-56(76)72-36-34-50-30-32-54(74(50)64(82)52(40-72)68-60(78)42(2)66-4)62(80)70-58(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,41-42,49-54,57-58,65-66H,29-40H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t41-,42-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
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| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432755
(CHEMBL2348615)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C64H86N12O8/c1-43(65-3)57(77)69-51-41-73(39-35-49-31-33-53(75(49)61(51)81)59(79)71-55(45-23-13-9-14-24-45)46-25-15-10-16-26-46)63(83)67-37-21-7-5-6-8-22-38-68-64(84)74-40-36-50-32-34-54(76(50)62(82)52(42-74)70-58(78)44(2)66-4)60(80)72-56(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-56,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432760
(CHEMBL2348620)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C69H80N12O8/c1-44(70-3)62(82)74-56-42-78(39-37-54-33-35-58(80(54)66(56)86)64(84)76-60(48-17-9-5-10-18-48)49-19-11-6-12-20-49)68(88)72-52-29-25-46(26-30-52)41-47-27-31-53(32-28-47)73-69(89)79-40-38-55-34-36-59(81(55)67(87)57(43-79)75-63(83)45(2)71-4)65(85)77-61(50-21-13-7-14-22-50)51-23-15-8-16-24-51/h5-32,44-45,54-61,70-71H,33-43H2,1-4H3,(H,72,88)(H,73,89)(H,74,82)(H,75,83)(H,76,84)(H,77,85)/t44-,45-,54+,55+,56-,57-,58-,59-/m0/s1 | PDB
MMDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432758
(CHEMBL2348618)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r,wU:38.41,50.59,53.72,57.65,62.69,wD:41.48,12.16,7.6,2.2,15.20,(49.77,-12.92,;51.31,-12.89,;52.07,-11.55,;53.61,-11.53,;51.28,-10.23,;52.03,-8.88,;49.74,-10.25,;48.95,-8.93,;49.87,-7.69,;49.64,-6.16,;48.41,-5.25,;46.89,-5.47,;45.97,-6.7,;44.45,-6.45,;43.73,-7.81,;44.81,-8.91,;46.19,-8.23,;47.42,-9.15,;47.04,-10.64,;44.55,-10.43,;45.74,-11.42,;43.11,-10.97,;41.77,-10.2,;41.77,-8.66,;43.1,-7.89,;43.1,-6.35,;41.77,-5.58,;40.44,-6.36,;40.44,-7.9,;40.45,-10.97,;39.12,-10.19,;37.79,-10.96,;37.78,-12.5,;39.14,-13.28,;40.46,-12.5,;50.97,-5.37,;50.95,-3.83,;52.31,-6.12,;53.85,-6.12,;54.61,-4.79,;56.15,-4.78,;56.92,-6.12,;56.15,-7.44,;54.62,-7.44,;58.46,-6.12,;59.79,-5.33,;59.79,-3.79,;61.13,-6.09,;62.36,-5.14,;63.88,-5.33,;64.83,-6.55,;66.33,-6.27,;67.07,-7.61,;66.02,-8.72,;64.64,-8.07,;63.41,-9.02,;63.82,-10.51,;61.89,-8.83,;60.94,-7.61,;61.13,-10.17,;59.59,-10.18,;58.81,-8.85,;58.82,-11.51,;57.28,-11.52,;59.6,-12.84,;58.84,-14.18,;66.31,-10.23,;65.14,-11.24,;67.76,-10.74,;68.05,-12.25,;66.74,-13.05,;65.39,-12.31,;64.07,-13.12,;64.11,-14.66,;65.47,-15.39,;66.78,-14.59,;69.4,-12.99,;69.43,-14.53,;70.78,-15.27,;72.1,-14.47,;72.06,-12.92,;70.71,-12.19,)| Show InChI InChI=1S/C62H80N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-24,39-40,45-54,63-64H,25-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
MMDB
KEGG
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B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432757
(CHEMBL2348617)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N1CCN(CC1)C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C60H76N12O8/c1-39(61-3)53(73)63-47-37-69(31-29-45-25-27-49(71(45)57(47)77)55(75)65-51(41-17-9-5-10-18-41)42-19-11-6-12-20-42)59(79)67-33-35-68(36-34-67)60(80)70-32-30-46-26-28-50(72(46)58(78)48(38-70)64-54(74)40(2)62-4)56(76)66-52(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-24,39-40,45-52,61-62H,25-38H2,1-4H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1 | PDB
MMDB
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432762
(CHEMBL2348622)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(34-32-47-28-30-51(73(47)59(49)79)57(77)69-53(41-18-9-5-10-19-41)42-20-11-6-12-21-42)61(81)65-45-26-17-27-46(36-45)66-62(82)72-35-33-48-29-31-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-22-13-7-14-23-43)44-24-15-8-16-25-44/h5-27,36,39-40,47-54,63-64H,28-35,37-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
MMDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432755
(CHEMBL2348615)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C64H86N12O8/c1-43(65-3)57(77)69-51-41-73(39-35-49-31-33-53(75(49)61(51)81)59(79)71-55(45-23-13-9-14-24-45)46-25-15-10-16-26-46)63(83)67-37-21-7-5-6-8-22-38-68-64(84)74-40-36-50-32-34-54(76(50)62(82)52(42-74)70-58(78)44(2)66-4)60(80)72-56(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-56,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
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antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432753
(CHEMBL2348613)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCc1ccc(CCC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C66H80N10O8/c1-43(67-3)61(79)69-53-41-73(39-37-51-31-33-55(75(51)65(53)83)63(81)71-59(47-17-9-5-10-18-47)48-19-11-6-12-20-48)57(77)35-29-45-25-27-46(28-26-45)30-36-58(78)74-40-38-52-32-34-56(76(52)66(84)54(42-74)70-62(80)44(2)68-4)64(82)72-60(49-21-13-7-14-22-49)50-23-15-8-16-24-50/h5-28,43-44,51-56,59-60,67-68H,29-42H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t43-,44-,51+,52+,53-,54-,55-,56-/m0/s1 | PDB
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PC sid
UniChem
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| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432753
(CHEMBL2348613)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCc1ccc(CCC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C66H80N10O8/c1-43(67-3)61(79)69-53-41-73(39-37-51-31-33-55(75(51)65(53)83)63(81)71-59(47-17-9-5-10-18-47)48-19-11-6-12-20-48)57(77)35-29-45-25-27-46(28-26-45)30-36-58(78)74-40-38-52-32-34-56(76(52)66(84)54(42-74)70-62(80)44(2)68-4)64(82)72-60(49-21-13-7-14-22-49)50-23-15-8-16-24-50/h5-28,43-44,51-56,59-60,67-68H,29-42H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t43-,44-,51+,52+,53-,54-,55-,56-/m0/s1 | PDB
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PC sid
UniChem
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| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432759
(CHEMBL2348619)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C68H78N12O9/c1-43(69-3)61(81)73-55-41-77(39-37-51-29-35-57(79(51)65(55)85)63(83)75-59(45-17-9-5-10-18-45)46-19-11-6-12-20-46)67(87)71-49-25-31-53(32-26-49)89-54-33-27-50(28-34-54)72-68(88)78-40-38-52-30-36-58(80(52)66(86)56(42-78)74-62(82)44(2)70-4)64(84)76-60(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,31-34,43-44,51-52,55-60,69-70H,29-30,35-42H2,1-4H3,(H,71,87)(H,72,88)(H,73,81)(H,74,82)(H,75,83)(H,76,84)/t43-,44-,51+,52+,55-,56-,57-,58-/m0/s1 | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432755
(CHEMBL2348615)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C64H86N12O8/c1-43(65-3)57(77)69-51-41-73(39-35-49-31-33-53(75(49)61(51)81)59(79)71-55(45-23-13-9-14-24-45)46-25-15-10-16-26-46)63(83)67-37-21-7-5-6-8-22-38-68-64(84)74-40-36-50-32-34-54(76(50)62(82)52(42-74)70-58(78)44(2)66-4)60(80)72-56(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-56,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432761
(CHEMBL2348621)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCc1cccc(CNC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C64H78N12O8/c1-41(65-3)57(77)69-51-39-73(34-32-49-28-30-53(75(49)61(51)81)59(79)71-55(45-20-9-5-10-21-45)46-22-11-6-12-23-46)63(83)67-37-43-18-17-19-44(36-43)38-68-64(84)74-35-33-50-29-31-54(76(50)62(82)52(40-74)70-58(78)42(2)66-4)60(80)72-56(47-24-13-7-14-25-47)48-26-15-8-16-27-48/h5-27,36,41-42,49-56,65-66H,28-35,37-40H2,1-4H3,(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)/t41-,42-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
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PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432763
(CHEMBL2348623)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-28,39-40,47-54,63-64H,29-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
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PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432756
(CHEMBL2348616)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C60H78N12O8/c1-39(61-3)53(73)65-47-37-69(35-31-45-27-29-49(71(45)57(47)77)55(75)67-51(41-19-9-5-10-20-41)42-21-11-6-12-22-42)59(79)63-33-17-18-34-64-60(80)70-36-32-46-28-30-50(72(46)58(78)48(38-70)66-54(74)40(2)62-4)56(76)68-52(43-23-13-7-14-24-43)44-25-15-8-16-26-44/h5-16,19-26,39-40,45-52,61-62H,17-18,27-38H2,1-4H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1 | PDB
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PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432760
(CHEMBL2348620)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C69H80N12O8/c1-44(70-3)62(82)74-56-42-78(39-37-54-33-35-58(80(54)66(56)86)64(84)76-60(48-17-9-5-10-18-48)49-19-11-6-12-20-49)68(88)72-52-29-25-46(26-30-52)41-47-27-31-53(32-28-47)73-69(89)79-40-38-55-34-36-59(81(55)67(87)57(43-79)75-63(83)45(2)71-4)65(85)77-61(50-21-13-7-14-22-50)51-23-15-8-16-24-51/h5-32,44-45,54-61,70-71H,33-43H2,1-4H3,(H,72,88)(H,73,89)(H,74,82)(H,75,83)(H,76,84)(H,77,85)/t44-,45-,54+,55+,56-,57-,58-,59-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432754
(CHEMBL2348614)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Cc1ccc(CC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C64H76N10O8/c1-41(65-3)59(77)67-51-39-71(35-33-49-29-31-53(73(49)63(51)81)61(79)69-57(45-17-9-5-10-18-45)46-19-11-6-12-20-46)55(75)37-43-25-27-44(28-26-43)38-56(76)72-36-34-50-30-32-54(74(50)64(82)52(40-72)68-60(78)42(2)66-4)62(80)70-58(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,41-42,49-54,57-58,65-66H,29-40H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t41-,42-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432753
(CHEMBL2348613)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCc1ccc(CCC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C66H80N10O8/c1-43(67-3)61(79)69-53-41-73(39-37-51-31-33-55(75(51)65(53)83)63(81)71-59(47-17-9-5-10-18-47)48-19-11-6-12-20-48)57(77)35-29-45-25-27-46(28-26-45)30-36-58(78)74-40-38-52-32-34-56(76(52)66(84)54(42-74)70-62(80)44(2)68-4)64(82)72-60(49-21-13-7-14-22-49)50-23-15-8-16-24-50/h5-28,43-44,51-56,59-60,67-68H,29-42H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t43-,44-,51+,52+,53-,54-,55-,56-/m0/s1 | PDB
KEGG
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PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432758
(CHEMBL2348618)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r,wU:38.41,50.59,53.72,57.65,62.69,wD:41.48,12.16,7.6,2.2,15.20,(49.77,-12.92,;51.31,-12.89,;52.07,-11.55,;53.61,-11.53,;51.28,-10.23,;52.03,-8.88,;49.74,-10.25,;48.95,-8.93,;49.87,-7.69,;49.64,-6.16,;48.41,-5.25,;46.89,-5.47,;45.97,-6.7,;44.45,-6.45,;43.73,-7.81,;44.81,-8.91,;46.19,-8.23,;47.42,-9.15,;47.04,-10.64,;44.55,-10.43,;45.74,-11.42,;43.11,-10.97,;41.77,-10.2,;41.77,-8.66,;43.1,-7.89,;43.1,-6.35,;41.77,-5.58,;40.44,-6.36,;40.44,-7.9,;40.45,-10.97,;39.12,-10.19,;37.79,-10.96,;37.78,-12.5,;39.14,-13.28,;40.46,-12.5,;50.97,-5.37,;50.95,-3.83,;52.31,-6.12,;53.85,-6.12,;54.61,-4.79,;56.15,-4.78,;56.92,-6.12,;56.15,-7.44,;54.62,-7.44,;58.46,-6.12,;59.79,-5.33,;59.79,-3.79,;61.13,-6.09,;62.36,-5.14,;63.88,-5.33,;64.83,-6.55,;66.33,-6.27,;67.07,-7.61,;66.02,-8.72,;64.64,-8.07,;63.41,-9.02,;63.82,-10.51,;61.89,-8.83,;60.94,-7.61,;61.13,-10.17,;59.59,-10.18,;58.81,-8.85,;58.82,-11.51,;57.28,-11.52,;59.6,-12.84,;58.84,-14.18,;66.31,-10.23,;65.14,-11.24,;67.76,-10.74,;68.05,-12.25,;66.74,-13.05,;65.39,-12.31,;64.07,-13.12,;64.11,-14.66,;65.47,-15.39,;66.78,-14.59,;69.4,-12.99,;69.43,-14.53,;70.78,-15.27,;72.1,-14.47,;72.06,-12.92,;70.71,-12.19,)| Show InChI InChI=1S/C62H80N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-24,39-40,45-54,63-64H,25-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432762
(CHEMBL2348622)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(34-32-47-28-30-51(73(47)59(49)79)57(77)69-53(41-18-9-5-10-19-41)42-20-11-6-12-21-42)61(81)65-45-26-17-27-46(36-45)66-62(82)72-35-33-48-29-31-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-22-13-7-14-23-43)44-24-15-8-16-25-44/h5-27,36,39-40,47-54,63-64H,28-35,37-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432759
(CHEMBL2348619)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C68H78N12O9/c1-43(69-3)61(81)73-55-41-77(39-37-51-29-35-57(79(51)65(55)85)63(83)75-59(45-17-9-5-10-18-45)46-19-11-6-12-20-46)67(87)71-49-25-31-53(32-26-49)89-54-33-27-50(28-34-54)72-68(88)78-40-38-52-30-36-58(80(52)66(86)56(42-78)74-62(82)44(2)70-4)64(84)76-60(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,31-34,43-44,51-52,55-60,69-70H,29-30,35-42H2,1-4H3,(H,71,87)(H,72,88)(H,73,81)(H,74,82)(H,75,83)(H,76,84)/t43-,44-,51+,52+,55-,56-,57-,58-/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432759
(CHEMBL2348619)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C68H78N12O9/c1-43(69-3)61(81)73-55-41-77(39-37-51-29-35-57(79(51)65(55)85)63(83)75-59(45-17-9-5-10-18-45)46-19-11-6-12-20-46)67(87)71-49-25-31-53(32-26-49)89-54-33-27-50(28-34-54)72-68(88)78-40-38-52-30-36-58(80(52)66(86)56(42-78)74-62(82)44(2)70-4)64(84)76-60(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,31-34,43-44,51-52,55-60,69-70H,29-30,35-42H2,1-4H3,(H,71,87)(H,72,88)(H,73,81)(H,74,82)(H,75,83)(H,76,84)/t43-,44-,51+,52+,55-,56-,57-,58-/m0/s1 | PDB
MMDB
KEGG
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50432757
(CHEMBL2348617)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N1CCN(CC1)C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C60H76N12O8/c1-39(61-3)53(73)63-47-37-69(31-29-45-25-27-49(71(45)57(47)77)55(75)65-51(41-17-9-5-10-18-41)42-19-11-6-12-20-42)59(79)67-33-35-68(36-34-67)60(80)70-32-30-46-26-28-50(72(46)58(78)48(38-70)64-54(74)40(2)62-4)56(76)66-52(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-24,39-40,45-52,61-62H,25-38H2,1-4H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432763
(CHEMBL2348623)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-28,39-40,47-54,63-64H,29-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
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PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432763
(CHEMBL2348623)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-28,39-40,47-54,63-64H,29-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
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PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432756
(CHEMBL2348616)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C60H78N12O8/c1-39(61-3)53(73)65-47-37-69(35-31-45-27-29-49(71(45)57(47)77)55(75)67-51(41-19-9-5-10-20-41)42-21-11-6-12-22-42)59(79)63-33-17-18-34-64-60(80)70-36-32-46-28-30-50(72(46)58(78)48(38-70)66-54(74)40(2)62-4)56(76)68-52(43-23-13-7-14-24-43)44-25-15-8-16-26-44/h5-16,19-26,39-40,45-52,61-62H,17-18,27-38H2,1-4H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1 | PDB
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PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432761
(CHEMBL2348621)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCc1cccc(CNC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C64H78N12O8/c1-41(65-3)57(77)69-51-39-73(34-32-49-28-30-53(75(49)61(51)81)59(79)71-55(45-20-9-5-10-21-45)46-22-11-6-12-23-46)63(83)67-37-43-18-17-19-44(36-43)38-68-64(84)74-35-33-50-29-31-54(76(50)62(82)52(40-74)70-58(78)42(2)66-4)60(80)72-56(47-24-13-7-14-25-47)48-26-15-8-16-27-48/h5-27,36,41-42,49-56,65-66H,28-35,37-40H2,1-4H3,(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)/t41-,42-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
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PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432760
(CHEMBL2348620)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C69H80N12O8/c1-44(70-3)62(82)74-56-42-78(39-37-54-33-35-58(80(54)66(56)86)64(84)76-60(48-17-9-5-10-18-48)49-19-11-6-12-20-49)68(88)72-52-29-25-46(26-30-52)41-47-27-31-53(32-28-47)73-69(89)79-40-38-55-34-36-59(81(55)67(87)57(43-79)75-63(83)45(2)71-4)65(85)77-61(50-21-13-7-14-22-50)51-23-15-8-16-24-51/h5-32,44-45,54-61,70-71H,33-43H2,1-4H3,(H,72,88)(H,73,89)(H,74,82)(H,75,83)(H,76,84)(H,77,85)/t44-,45-,54+,55+,56-,57-,58-,59-/m0/s1 | PDB
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PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432754
(CHEMBL2348614)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Cc1ccc(CC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C64H76N10O8/c1-41(65-3)59(77)67-51-39-71(35-33-49-29-31-53(73(49)63(51)81)61(79)69-57(45-17-9-5-10-18-45)46-19-11-6-12-20-46)55(75)37-43-25-27-44(28-26-43)38-56(76)72-36-34-50-30-32-54(74(50)64(82)52(40-72)68-60(78)42(2)66-4)62(80)70-58(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,41-42,49-54,57-58,65-66H,29-40H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t41-,42-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
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PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432756
(CHEMBL2348616)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C60H78N12O8/c1-39(61-3)53(73)65-47-37-69(35-31-45-27-29-49(71(45)57(47)77)55(75)67-51(41-19-9-5-10-20-41)42-21-11-6-12-22-42)59(79)63-33-17-18-34-64-60(80)70-36-32-46-28-30-50(72(46)58(78)48(38-70)66-54(74)40(2)62-4)56(76)68-52(43-23-13-7-14-24-43)44-25-15-8-16-26-44/h5-16,19-26,39-40,45-52,61-62H,17-18,27-38H2,1-4H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1 | PDB
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PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50432761
(CHEMBL2348621)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCc1cccc(CNC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C64H78N12O8/c1-41(65-3)57(77)69-51-39-73(34-32-49-28-30-53(75(49)61(51)81)59(79)71-55(45-20-9-5-10-21-45)46-22-11-6-12-23-46)63(83)67-37-43-18-17-19-44(36-43)38-68-64(84)74-35-33-50-29-31-54(76(50)62(82)52(40-74)70-58(78)42(2)66-4)60(80)72-56(47-24-13-7-14-25-47)48-26-15-8-16-27-48/h5-27,36,41-42,49-56,65-66H,28-35,37-40H2,1-4H3,(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)/t41-,42-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
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PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432758
(CHEMBL2348618)Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r,wU:38.41,50.59,53.72,57.65,62.69,wD:41.48,12.16,7.6,2.2,15.20,(49.77,-12.92,;51.31,-12.89,;52.07,-11.55,;53.61,-11.53,;51.28,-10.23,;52.03,-8.88,;49.74,-10.25,;48.95,-8.93,;49.87,-7.69,;49.64,-6.16,;48.41,-5.25,;46.89,-5.47,;45.97,-6.7,;44.45,-6.45,;43.73,-7.81,;44.81,-8.91,;46.19,-8.23,;47.42,-9.15,;47.04,-10.64,;44.55,-10.43,;45.74,-11.42,;43.11,-10.97,;41.77,-10.2,;41.77,-8.66,;43.1,-7.89,;43.1,-6.35,;41.77,-5.58,;40.44,-6.36,;40.44,-7.9,;40.45,-10.97,;39.12,-10.19,;37.79,-10.96,;37.78,-12.5,;39.14,-13.28,;40.46,-12.5,;50.97,-5.37,;50.95,-3.83,;52.31,-6.12,;53.85,-6.12,;54.61,-4.79,;56.15,-4.78,;56.92,-6.12,;56.15,-7.44,;54.62,-7.44,;58.46,-6.12,;59.79,-5.33,;59.79,-3.79,;61.13,-6.09,;62.36,-5.14,;63.88,-5.33,;64.83,-6.55,;66.33,-6.27,;67.07,-7.61,;66.02,-8.72,;64.64,-8.07,;63.41,-9.02,;63.82,-10.51,;61.89,-8.83,;60.94,-7.61,;61.13,-10.17,;59.59,-10.18,;58.81,-8.85,;58.82,-11.51,;57.28,-11.52,;59.6,-12.84,;58.84,-14.18,;66.31,-10.23,;65.14,-11.24,;67.76,-10.74,;68.05,-12.25,;66.74,-13.05,;65.39,-12.31,;64.07,-13.12,;64.11,-14.66,;65.47,-15.39,;66.78,-14.59,;69.4,-12.99,;69.43,-14.53,;70.78,-15.27,;72.1,-14.47,;72.06,-12.92,;70.71,-12.19,)| Show InChI InChI=1S/C62H80N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-24,39-40,45-54,63-64H,25-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
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PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d
BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this
Ligand-Target Pair | |
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