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5 similar compounds to monomer 50441344

Compile data set for download or QSAR
Wt: 524.4
BDBM50441343
Wt: 524.4
BDBM50441345
Wt: 510.4
BDBM50441346
Wt: 510.4
BDBM50441347
Wt: 431.5
BDBM50441348

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50441343,50441345,50441346,50441347,50441348   
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))
BDBM50441343
PNG
(CHEMBL2431764 | US9611224, Example 61)
Show SMILES CCN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C27H30BrN3O3/c1-4-29-17(2)26(32)30-23-13-9-18-7-5-6-8-24(18)31(27(23)33)16-22-21-12-11-20(28)15-19(21)10-14-25(22)34-3/h5-8,10-12,14-15,17,23,29H,4,9,13,16H2,1-3H3,(H,30,32)/t17-,23-/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
Inhibition of His-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 56: 7772-87 (2013)


Article DOI: 10.1021/jm400731m
BindingDB Entry DOI: 10.7270/Q2CR5VS5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50441348
PNG
(CHEMBL2431759 | US9611224, Example 47c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
Show InChI InChI=1S/C26H29N3O3/c1-17(27-2)25(30)28-22-14-12-19-9-5-7-11-23(19)29(26(22)31)16-21-20-10-6-4-8-18(20)13-15-24(21)32-3/h4-11,13,15,17,22,27H,12,14,16H2,1-3H3,(H,28,30)/t17-,22-/m0/s1
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n/an/a>5.40E+4n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

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


(Homo sapiens (Human))
BDBM50441346
PNG
(CHEMBL2431761 | US9611224, Example 27)
Show SMILES CN[C@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H28BrN3O3/c1-16(28-2)25(31)29-22-12-8-17-6-4-5-7-23(17)30(26(22)32)15-21-20-11-10-19(27)14-18(20)9-13-24(21)33-3/h4-7,9-11,13-14,16,22,28H,8,12,15H2,1-3H3,(H,29,31)/t16-,22+/m1/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
Inhibition of His-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 56: 7772-87 (2013)


Article DOI: 10.1021/jm400731m
BindingDB Entry DOI: 10.7270/Q2CR5VS5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441347
PNG
(CHEMBL2431760 | US9611224, Example 29)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H28BrN3O3/c1-16(28-2)25(31)29-22-12-8-17-6-4-5-7-23(17)30(26(22)32)15-21-20-11-10-19(27)14-18(20)9-13-24(21)33-3/h4-7,9-11,13-14,16,22,28H,8,12,15H2,1-3H3,(H,29,31)/t16-,22-/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
Inhibition of His-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 56: 7772-87 (2013)


Article DOI: 10.1021/jm400731m
BindingDB Entry DOI: 10.7270/Q2CR5VS5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441348
PNG
(CHEMBL2431759 | US9611224, Example 47c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
Show InChI InChI=1S/C26H29N3O3/c1-17(27-2)25(30)28-22-14-12-19-9-5-7-11-23(19)29(26(22)31)16-21-20-10-6-4-8-18(20)13-15-24(21)32-3/h4-11,13,15,17,22,27H,12,14,16H2,1-3H3,(H,28,30)/t17-,22-/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
Inhibition of His-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 56: 7772-87 (2013)


Article DOI: 10.1021/jm400731m
BindingDB Entry DOI: 10.7270/Q2CR5VS5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441343
PNG
(CHEMBL2431764 | US9611224, Example 61)
Show SMILES CCN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C27H30BrN3O3/c1-4-29-17(2)26(32)30-23-13-9-18-7-5-6-8-24(18)31(27(23)33)16-22-21-12-11-20(28)15-19(21)10-14-25(22)34-3/h5-8,10-12,14-15,17,23,29H,4,9,13,16H2,1-3H3,(H,30,32)/t17-,23-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 56: 7772-87 (2013)


Article DOI: 10.1021/jm400731m
BindingDB Entry DOI: 10.7270/Q2CR5VS5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441345
PNG
(CHEMBL2431762)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C27H30BrN3O3/c1-4-22(29-2)26(32)30-23-13-9-17-7-5-6-8-24(17)31(27(23)33)16-21-20-12-11-19(28)15-18(20)10-14-25(21)34-3/h5-8,10-12,14-15,22-23,29H,4,9,13,16H2,1-3H3,(H,30,32)/t22-,23-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 56: 7772-87 (2013)


Article DOI: 10.1021/jm400731m
BindingDB Entry DOI: 10.7270/Q2CR5VS5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441346
PNG
(CHEMBL2431761 | US9611224, Example 27)
Show SMILES CN[C@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H28BrN3O3/c1-16(28-2)25(31)29-22-12-8-17-6-4-5-7-23(17)30(26(22)32)15-21-20-11-10-19(27)14-18(20)9-13-24(21)33-3/h4-7,9-11,13-14,16,22,28H,8,12,15H2,1-3H3,(H,29,31)/t16-,22+/m1/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 56: 7772-87 (2013)


Article DOI: 10.1021/jm400731m
BindingDB Entry DOI: 10.7270/Q2CR5VS5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441347
PNG
(CHEMBL2431760 | US9611224, Example 29)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H28BrN3O3/c1-16(28-2)25(31)29-22-12-8-17-6-4-5-7-23(17)30(26(22)32)15-21-20-11-10-19(27)14-18(20)9-13-24(21)33-3/h4-7,9-11,13-14,16,22,28H,8,12,15H2,1-3H3,(H,29,31)/t16-,22-/m0/s1
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n/an/a 194n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 56: 7772-87 (2013)


Article DOI: 10.1021/jm400731m
BindingDB Entry DOI: 10.7270/Q2CR5VS5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50441348
PNG
(CHEMBL2431759 | US9611224, Example 47c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
Show InChI InChI=1S/C26H29N3O3/c1-17(27-2)25(30)28-22-14-12-19-9-5-7-11-23(19)29(26(22)31)16-21-20-10-6-4-8-18(20)13-15-24(21)32-3/h4-11,13,15,17,22,27H,12,14,16H2,1-3H3,(H,28,30)/t17-,22-/m0/s1
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n/an/a 249n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 56: 7772-87 (2013)


Article DOI: 10.1021/jm400731m
BindingDB Entry DOI: 10.7270/Q2CR5VS5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50441346
PNG
(CHEMBL2431761 | US9611224, Example 27)
Show SMILES CN[C@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H28BrN3O3/c1-16(28-2)25(31)29-22-12-8-17-6-4-5-7-23(17)30(26(22)32)15-21-20-11-10-19(27)14-18(20)9-13-24(21)33-3/h4-7,9-11,13-14,16,22,28H,8,12,15H2,1-3H3,(H,29,31)/t16-,22+/m1/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50441346
PNG
(CHEMBL2431761 | US9611224, Example 27)
Show SMILES CN[C@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H28BrN3O3/c1-16(28-2)25(31)29-22-12-8-17-6-4-5-7-23(17)30(26(22)32)15-21-20-11-10-19(27)14-18(20)9-13-24(21)33-3/h4-7,9-11,13-14,16,22,28H,8,12,15H2,1-3H3,(H,29,31)/t16-,22+/m1/s1
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n/an/a>5.48E+4n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50441347
PNG
(CHEMBL2431760 | US9611224, Example 29)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H28BrN3O3/c1-16(28-2)25(31)29-22-12-8-17-6-4-5-7-23(17)30(26(22)32)15-21-20-11-10-19(27)14-18(20)9-13-24(21)33-3/h4-7,9-11,13-14,16,22,28H,8,12,15H2,1-3H3,(H,29,31)/t16-,22-/m0/s1
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n/an/a 194n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50441343
PNG
(CHEMBL2431764 | US9611224, Example 61)
Show SMILES CCN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C27H30BrN3O3/c1-4-29-17(2)26(32)30-23-13-9-18-7-5-6-8-24(18)31(27(23)33)16-22-21-12-11-20(28)15-19(21)10-14-25(22)34-3/h5-8,10-12,14-15,17,23,29H,4,9,13,16H2,1-3H3,(H,30,32)/t17-,23-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50441343
PNG
(CHEMBL2431764 | US9611224, Example 61)
Show SMILES CCN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C27H30BrN3O3/c1-4-29-17(2)26(32)30-23-13-9-18-7-5-6-8-24(18)31(27(23)33)16-22-21-12-11-20(28)15-19(21)10-14-25(22)34-3/h5-8,10-12,14-15,17,23,29H,4,9,13,16H2,1-3H3,(H,30,32)/t17-,23-/m0/s1
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n/an/a>5.48E+4n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50441348
PNG
(CHEMBL2431759 | US9611224, Example 47c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
Show InChI InChI=1S/C26H29N3O3/c1-17(27-2)25(30)28-22-14-12-19-9-5-7-11-23(19)29(26(22)31)16-21-20-10-6-4-8-18(20)13-15-24(21)32-3/h4-11,13,15,17,22,27H,12,14,16H2,1-3H3,(H,28,30)/t17-,22-/m0/s1
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n/an/a 249n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

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


(Homo sapiens (Human))
BDBM50441345
PNG
(CHEMBL2431762)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C27H30BrN3O3/c1-4-22(29-2)26(32)30-23-13-9-17-7-5-6-8-24(17)31(27(23)33)16-21-20-12-11-19(28)15-18(20)10-14-25(21)34-3/h5-8,10-12,14-15,22-23,29H,4,9,13,16H2,1-3H3,(H,30,32)/t22-,23-/m0/s1
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n/an/a 3.16E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 56: 7772-87 (2013)


Article DOI: 10.1021/jm400731m
BindingDB Entry DOI: 10.7270/Q2CR5VS5
More data for this
Ligand-Target Pair