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7 similar compounds to monomer 50441803

Compile data set for download or QSAR
Wt: 500.6
BDBM50441797
Wt: 500.6
BDBM50441798
Wt: 436.5
BDBM50441800
Wt: 486.6
BDBM50441801
Wt: 444.5
BDBM50441802
Wt: 472.6
BDBM50441804
Wt: 416.5
BDBM50441805

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50441797,50441798,50441800,50441801,50441802,50441804,50441805   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441797
PNG
(CHEMBL2436327 | US10053431, 8)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C30H36N4O3/c1-19(2)16-28(35)33-18-25(32-29(36)21(4)31-5)30(37)34(27-13-9-8-12-26(27)33)17-24-20(3)14-15-22-10-6-7-11-23(22)24/h6-15,19,21,25,31H,16-18H2,1-5H3,(H,32,36)/t21-,25-/m0/s1
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n/an/a>5.48E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
BIR3


()
BDBM50441798
PNG
(CHEMBL2436326 | US10053431, 25)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(C(C)c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C30H36N4O3/c1-19(2)17-28(35)33-18-25(32-29(36)20(3)31-5)30(37)34(27-16-9-8-15-26(27)33)21(4)23-14-10-12-22-11-6-7-13-24(22)23/h6-16,19-21,25,31H,17-18H2,1-5H3,(H,32,36)/t20-,21?,25-/m0/s1
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US Patent
n/an/a>5.48E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441800
PNG
(CHEMBL2436324 | US10053431, 21)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C25H32N4O3/c1-17(2)14-23(30)28-16-20(27-24(31)18(3)26-4)25(32)29(15-19-10-6-5-7-11-19)22-13-9-8-12-21(22)28/h5-13,17-18,20,26H,14-16H2,1-4H3,(H,27,31)/t18-,20-/m0/s1
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n/an/a>5.48E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441801
PNG
(CHEMBL2436321 | US10053431, 3)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C29H34N4O3/c1-19(2)16-27(34)32-18-24(31-28(35)20(3)30-4)29(36)33(26-15-8-7-14-25(26)32)17-22-12-9-11-21-10-5-6-13-23(21)22/h5-15,19-20,24,30H,16-18H2,1-4H3,(H,31,35)/t20-,24-/m0/s1
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n/an/a>5.48E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441802
PNG
(CHEMBL2436320 | US10053431, 2)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C26H28N4O3/c1-17(27-3)25(32)28-22-16-29(18(2)31)23-13-6-7-14-24(23)30(26(22)33)15-20-11-8-10-19-9-4-5-12-21(19)20/h4-14,17,22,27H,15-16H2,1-3H3,(H,28,32)/t17-,22-/m0/s1
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n/an/a>5.48E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441804
PNG
(CHEMBL2436323 | US10053431, 6)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CCC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C29H36N4O2/c1-20(2)16-17-32-19-25(31-28(34)21(3)30-4)29(35)33(27-15-8-7-14-26(27)32)18-23-12-9-11-22-10-5-6-13-24(22)23/h5-15,20-21,25,30H,16-19H2,1-4H3,(H,31,34)/t21-,25-/m0/s1
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n/an/a>5.40E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441805
PNG
(CHEMBL2436322 | US10053431, 5)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C25H28N4O2/c1-17(26-2)24(30)27-21-16-28(3)22-13-6-7-14-23(22)29(25(21)31)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-14,17,21,26H,15-16H2,1-3H3,(H,27,30)/t17-,21-/m0/s1
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n/an/a>5.40E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441805
PNG
(CHEMBL2436322 | US10053431, 5)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C25H28N4O2/c1-17(26-2)24(30)27-21-16-28(3)22-13-6-7-14-23(22)29(25(21)31)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-14,17,21,26H,15-16H2,1-3H3,(H,27,30)/t17-,21-/m0/s1
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n/an/a 4.36E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441800
PNG
(CHEMBL2436324 | US10053431, 21)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C25H32N4O3/c1-17(2)14-23(30)28-16-20(27-24(31)18(3)26-4)25(32)29(15-19-10-6-5-7-11-19)22-13-9-8-12-21(22)28/h5-13,17-18,20,26H,14-16H2,1-4H3,(H,27,31)/t18-,20-/m0/s1
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n/an/a 2.77E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441804
PNG
(CHEMBL2436323 | US10053431, 6)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CCC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C29H36N4O2/c1-20(2)16-17-32-19-25(31-28(34)21(3)30-4)29(35)33(27-15-8-7-14-26(27)32)18-23-12-9-11-22-10-5-6-13-24(22)23/h5-15,20-21,25,30H,16-19H2,1-4H3,(H,31,34)/t21-,25-/m0/s1
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n/an/a 2.62E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441798
PNG
(CHEMBL2436326 | US10053431, 25)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(C(C)c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C30H36N4O3/c1-19(2)17-28(35)33-18-25(32-29(36)20(3)31-5)30(37)34(27-16-9-8-15-26(27)33)21(4)23-14-10-12-22-11-6-7-13-24(22)23/h6-16,19-21,25,31H,17-18H2,1-5H3,(H,32,36)/t20-,21?,25-/m0/s1
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n/an/a 2.23E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441802
PNG
(CHEMBL2436320 | US10053431, 2)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C26H28N4O3/c1-17(27-3)25(32)28-22-16-29(18(2)31)23-13-6-7-14-24(23)30(26(22)33)15-20-11-8-10-19-9-4-5-12-21(19)20/h4-14,17,22,27H,15-16H2,1-3H3,(H,28,32)/t17-,22-/m0/s1
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n/an/a 928n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441801
PNG
(CHEMBL2436321 | US10053431, 3)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C29H34N4O3/c1-19(2)16-27(34)32-18-24(31-28(35)20(3)30-4)29(36)33(26-15-8-7-14-25(26)32)17-22-12-9-11-21-10-5-6-13-23(21)22/h5-15,19-20,24,30H,16-18H2,1-4H3,(H,31,35)/t20-,24-/m0/s1
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n/an/a 611n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441797
PNG
(CHEMBL2436327 | US10053431, 8)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C30H36N4O3/c1-19(2)16-28(35)33-18-25(32-29(36)21(4)31-5)30(37)34(27-13-9-8-12-26(27)33)17-24-20(3)14-15-22-10-6-7-11-23(22)24/h6-15,19,21,25,31H,16-18H2,1-5H3,(H,32,36)/t21-,25-/m0/s1
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n/an/a 383n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair
BIR2


()
BDBM50441802
PNG
(CHEMBL2436320 | US10053431, 2)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C26H28N4O3/c1-17(27-3)25(32)28-22-16-29(18(2)31)23-13-6-7-14-24(23)30(26(22)33)15-20-11-8-10-19-9-4-5-12-21(19)20/h4-14,17,22,27H,15-16H2,1-3H3,(H,28,32)/t17-,22-/m0/s1
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US Patent
n/an/a 928n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR3


()
BDBM50441802
PNG
(CHEMBL2436320 | US10053431, 2)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C26H28N4O3/c1-17(27-3)25(32)28-22-16-29(18(2)31)23-13-6-7-14-24(23)30(26(22)33)15-20-11-8-10-19-9-4-5-12-21(19)20/h4-14,17,22,27H,15-16H2,1-3H3,(H,28,32)/t17-,22-/m0/s1
PDB

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US Patent
n/an/a>5.48E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441801
PNG
(CHEMBL2436321 | US10053431, 3)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C29H34N4O3/c1-19(2)16-27(34)32-18-24(31-28(35)20(3)30-4)29(36)33(26-15-8-7-14-25(26)32)17-22-12-9-11-21-10-5-6-13-23(21)22/h5-15,19-20,24,30H,16-18H2,1-4H3,(H,31,35)/t20-,24-/m0/s1
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US Patent
n/an/a 611n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR3


()
BDBM50441801
PNG
(CHEMBL2436321 | US10053431, 3)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C29H34N4O3/c1-19(2)16-27(34)32-18-24(31-28(35)20(3)30-4)29(36)33(26-15-8-7-14-25(26)32)17-22-12-9-11-21-10-5-6-13-23(21)22/h5-15,19-20,24,30H,16-18H2,1-4H3,(H,31,35)/t20-,24-/m0/s1
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n/an/a>5.48E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441805
PNG
(CHEMBL2436322 | US10053431, 5)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C25H28N4O2/c1-17(26-2)24(30)27-21-16-28(3)22-13-6-7-14-23(22)29(25(21)31)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-14,17,21,26H,15-16H2,1-3H3,(H,27,30)/t17-,21-/m0/s1
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n/an/a 4.36E+3n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR3


()
BDBM50441805
PNG
(CHEMBL2436322 | US10053431, 5)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C25H28N4O2/c1-17(26-2)24(30)27-21-16-28(3)22-13-6-7-14-23(22)29(25(21)31)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-14,17,21,26H,15-16H2,1-3H3,(H,27,30)/t17-,21-/m0/s1
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n/an/a>5.40E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441804
PNG
(CHEMBL2436323 | US10053431, 6)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CCC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C29H36N4O2/c1-20(2)16-17-32-19-25(31-28(34)21(3)30-4)29(35)33(27-15-8-7-14-26(27)32)18-23-12-9-11-22-10-5-6-13-24(22)23/h5-15,20-21,25,30H,16-19H2,1-4H3,(H,31,34)/t21-,25-/m0/s1
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n/an/a 2.62E+3n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR3


()
BDBM50441804
PNG
(CHEMBL2436323 | US10053431, 6)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CCC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C29H36N4O2/c1-20(2)16-17-32-19-25(31-28(34)21(3)30-4)29(35)33(27-15-8-7-14-26(27)32)18-23-12-9-11-22-10-5-6-13-24(22)23/h5-15,20-21,25,30H,16-19H2,1-4H3,(H,31,34)/t21-,25-/m0/s1
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n/an/a>5.40E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441797
PNG
(CHEMBL2436327 | US10053431, 8)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C30H36N4O3/c1-19(2)16-28(35)33-18-25(32-29(36)21(4)31-5)30(37)34(27-13-9-8-12-26(27)33)17-24-20(3)14-15-22-10-6-7-11-23(22)24/h6-15,19,21,25,31H,16-18H2,1-5H3,(H,32,36)/t21-,25-/m0/s1
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n/an/a 383n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR3


()
BDBM50441797
PNG
(CHEMBL2436327 | US10053431, 8)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C30H36N4O3/c1-19(2)16-28(35)33-18-25(32-29(36)21(4)31-5)30(37)34(27-13-9-8-12-26(27)33)17-24-20(3)14-15-22-10-6-7-11-23(22)24/h6-15,19,21,25,31H,16-18H2,1-5H3,(H,32,36)/t21-,25-/m0/s1
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n/an/a>5.48E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441800
PNG
(CHEMBL2436324 | US10053431, 21)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C25H32N4O3/c1-17(2)14-23(30)28-16-20(27-24(31)18(3)26-4)25(32)29(15-19-10-6-5-7-11-19)22-13-9-8-12-21(22)28/h5-13,17-18,20,26H,14-16H2,1-4H3,(H,27,31)/t18-,20-/m0/s1
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n/an/a 2.77E+3n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR3


()
BDBM50441800
PNG
(CHEMBL2436324 | US10053431, 21)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C25H32N4O3/c1-17(2)14-23(30)28-16-20(27-24(31)18(3)26-4)25(32)29(15-19-10-6-5-7-11-19)22-13-9-8-12-21(22)28/h5-13,17-18,20,26H,14-16H2,1-4H3,(H,27,31)/t18-,20-/m0/s1
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n/an/a>5.48E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441798
PNG
(CHEMBL2436326 | US10053431, 25)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(C(C)c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C30H36N4O3/c1-19(2)17-28(35)33-18-25(32-29(36)20(3)31-5)30(37)34(27-16-9-8-15-26(27)33)21(4)23-14-10-12-22-11-6-7-13-24(22)23/h6-16,19-21,25,31H,17-18H2,1-5H3,(H,32,36)/t20-,21?,25-/m0/s1
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n/an/a 2.23E+3n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441798
PNG
(CHEMBL2436326 | US10053431, 25)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(C(C)c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C30H36N4O3/c1-19(2)17-28(35)33-18-25(32-29(36)20(3)31-5)30(37)34(27-16-9-8-15-26(27)33)21(4)23-14-10-12-22-11-6-7-13-24(22)23/h6-16,19-21,25,31H,17-18H2,1-5H3,(H,32,36)/t20-,21?,25-/m0/s1
PDB

KEGG

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Article
PubMed
n/an/a>5.48E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 45 mins by T...


J Med Chem 56: 7788-803 (2013)


Article DOI: 10.1021/jm400732v
BindingDB Entry DOI: 10.7270/Q2M32X6V
More data for this
Ligand-Target Pair