Found 10 hits for monomerid = 50393637 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 |
X-linked inhibitor of apoptosis protein (XIAP)
(Homo sapiens (Human)) | BDBM50393637
(CHEMBL2158606)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)CCCCOCCCCC(=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/C64H84N10O9/c1-43(65-3)59(77)67-51-41-71(37-35-49-31-33-53(73(49)63(51)81)61(79)69-57(45-21-9-5-10-22-45)46-23-11-6-12-24-46)55(75)29-17-19-39-83-40-20-18-30-56(76)72-38-36-50-32-34-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-16,21-28,43-44,49-54,57-58,65-66H,17-20,29-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,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 | 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 BIR2-BIR3 domain of XIAP by fluorescence polarization assay |
J Med Chem 55: 106-14 (2012)
Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50393637
(CHEMBL2158606)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)CCCCOCCCCC(=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/C64H84N10O9/c1-43(65-3)59(77)67-51-41-71(37-35-49-31-33-53(73(49)63(51)81)61(79)69-57(45-21-9-5-10-22-45)46-23-11-6-12-24-46)55(75)29-17-19-39-83-40-20-18-30-56(76)72-38-36-50-32-34-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-16,21-28,43-44,49-54,57-58,65-66H,17-20,29-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | 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 BIR3 domain of cIAP1 by fluorescence polarization assay |
J Med Chem 55: 106-14 (2012)
Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)
(Homo sapiens (Human)) | BDBM50393637
(CHEMBL2158606)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)CCCCOCCCCC(=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/C64H84N10O9/c1-43(65-3)59(77)67-51-41-71(37-35-49-31-33-53(73(49)63(51)81)61(79)69-57(45-21-9-5-10-22-45)46-23-11-6-12-24-46)55(75)29-17-19-39-83-40-20-18-30-56(76)72-38-36-50-32-34-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-16,21-28,43-44,49-54,57-58,65-66H,17-20,29-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | 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 BIR3 domain of cIAP2 by fluorescence polarization assay |
J Med Chem 55: 106-14 (2012)
Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B |
More data for this Ligand-Target Pair | |
X-linked inhibitor of apoptosis protein (XIAP)
(Homo sapiens (Human)) | BDBM50393637
(CHEMBL2158606)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)CCCCOCCCCC(=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/C64H84N10O9/c1-43(65-3)59(77)67-51-41-71(37-35-49-31-33-53(73(49)63(51)81)61(79)69-57(45-21-9-5-10-22-45)46-23-11-6-12-24-46)55(75)29-17-19-39-83-40-20-18-30-56(76)72-38-36-50-32-34-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-16,21-28,43-44,49-54,57-58,65-66H,17-20,29-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,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
| 68 | 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 BIR3 domain of XIAP by fluorescence polarization assay |
J Med Chem 55: 106-14 (2012)
Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B |
More data for this Ligand-Target Pair | |
X-linked inhibitor of apoptosis protein (XIAP)
(Homo sapiens (Human)) | BDBM50393637
(CHEMBL2158606)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)CCCCOCCCCC(=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/C64H84N10O9/c1-43(65-3)59(77)67-51-41-71(37-35-49-31-33-53(73(49)63(51)81)61(79)69-57(45-21-9-5-10-22-45)46-23-11-6-12-24-46)55(75)29-17-19-39-83-40-20-18-30-56(76)72-38-36-50-32-34-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-16,21-28,43-44,49-54,57-58,65-66H,17-20,29-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,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
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to BIR2-BIR3 domain of XIAP by fluorescence polarization assay |
J Med Chem 55: 106-14 (2012)
Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B |
More data for this Ligand-Target Pair | |
X-linked inhibitor of apoptosis protein (XIAP)
(Homo sapiens (Human)) | BDBM50393637
(CHEMBL2158606)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)CCCCOCCCCC(=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/C64H84N10O9/c1-43(65-3)59(77)67-51-41-71(37-35-49-31-33-53(73(49)63(51)81)61(79)69-57(45-21-9-5-10-22-45)46-23-11-6-12-24-46)55(75)29-17-19-39-83-40-20-18-30-56(76)72-38-36-50-32-34-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-16,21-28,43-44,49-54,57-58,65-66H,17-20,29-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,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
| n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-9 activity using Z-LEHD as substrate preincubated for 15 mins me... |
J Med Chem 55: 106-14 (2012)
Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)
(Homo sapiens (Human)) | BDBM50393637
(CHEMBL2158606)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)CCCCOCCCCC(=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/C64H84N10O9/c1-43(65-3)59(77)67-51-41-71(37-35-49-31-33-53(73(49)63(51)81)61(79)69-57(45-21-9-5-10-22-45)46-23-11-6-12-24-46)55(75)29-17-19-39-83-40-20-18-30-56(76)72-38-36-50-32-34-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-16,21-28,43-44,49-54,57-58,65-66H,17-20,29-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay |
J Med Chem 55: 106-14 (2012)
Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50393637
(CHEMBL2158606)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)CCCCOCCCCC(=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/C64H84N10O9/c1-43(65-3)59(77)67-51-41-71(37-35-49-31-33-53(73(49)63(51)81)61(79)69-57(45-21-9-5-10-22-45)46-23-11-6-12-24-46)55(75)29-17-19-39-83-40-20-18-30-56(76)72-38-36-50-32-34-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-16,21-28,43-44,49-54,57-58,65-66H,17-20,29-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article 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 BIR3 domain of cIAP1 by fluorescence polarization assay |
J Med Chem 55: 106-14 (2012)
Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B |
More data for this Ligand-Target Pair | |
X-linked inhibitor of apoptosis protein (XIAP)
(Homo sapiens (Human)) | BDBM50393637
(CHEMBL2158606)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)CCCCOCCCCC(=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/C64H84N10O9/c1-43(65-3)59(77)67-51-41-71(37-35-49-31-33-53(73(49)63(51)81)61(79)69-57(45-21-9-5-10-22-45)46-23-11-6-12-24-46)55(75)29-17-19-39-83-40-20-18-30-56(76)72-38-36-50-32-34-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-16,21-28,43-44,49-54,57-58,65-66H,17-20,29-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,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
| n/a | n/a | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to BIR3 domain of XIAP by fluorescence polarization assay |
J Med Chem 55: 106-14 (2012)
Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B |
More data for this Ligand-Target Pair | |
X-linked inhibitor of apoptosis protein (XIAP)
(Homo sapiens (Human)) | BDBM50393637
(CHEMBL2158606)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)CCCCOCCCCC(=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/C64H84N10O9/c1-43(65-3)59(77)67-51-41-71(37-35-49-31-33-53(73(49)63(51)81)61(79)69-57(45-21-9-5-10-22-45)46-23-11-6-12-24-46)55(75)29-17-19-39-83-40-20-18-30-56(76)72-38-36-50-32-34-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-16,21-28,43-44,49-54,57-58,65-66H,17-20,29-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,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
| n/a | n/a | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-3 activity using Ac-DEVD-AFC as substrate preincubated for 15 mi... |
J Med Chem 55: 106-14 (2012)
Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B |
More data for this Ligand-Target Pair | |