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Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'troadec' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465645
PNG
(CHEMBL4288478)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r|
Show InChI InChI=1S/C29H33F5N4O3/c1-15-12-17(22(31)14-20(15)29(32,33)34)13-24(37-26(39)16(2)35-3)28(41)38-11-5-8-25(38)27(40)36-23-10-9-18-19(23)6-4-7-21(18)30/h4,6-7,12,14,16,23-25,35H,5,8-11,13H2,1-3H3,(H,36,40)(H,37,39)/t16-,23+,24-,25-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50388975
PNG
(CHEMBL2063869)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r|
Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465631
PNG
(CHEMBL4277819)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C28H35FN6O7S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-12-20(13-11-19)43(29,41)42)28(40)35-14-6-9-23(35)27(39)33-21(24(30)36)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,31H,6,9,14-16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50388975
PNG
(CHEMBL2063869)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r|
Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465645
PNG
(CHEMBL4288478)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r|
Show InChI InChI=1S/C29H33F5N4O3/c1-15-12-17(22(31)14-20(15)29(32,33)34)13-24(37-26(39)16(2)35-3)28(41)38-11-5-8-25(38)27(40)36-23-10-9-18-19(23)6-4-7-21(18)30/h4,6-7,12,14,16,23-25,35H,5,8-11,13H2,1-3H3,(H,36,40)(H,37,39)/t16-,23+,24-,25-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465647
PNG
(CHEMBL4281278)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 |r|
Show InChI InChI=1S/C29H32F2N6O5S/c1-18(32-2)27(38)36-25(17-34-28(39)20-8-10-23(11-9-20)43(31,41)42)29(40)37-12-4-7-26(37)24-16-33-15-22(35-24)14-19-5-3-6-21(30)13-19/h3,5-6,8-11,13,15-16,18,25-26,32H,4,7,12,14,17H2,1-2H3,(H,34,39)(H,36,38)/t18-,25-,26+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465630
PNG
(CHEMBL4276715)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r|
Show InChI InChI=1S/C22H32FN5O3/c1-13(25-2)20(29)27-18(10-11-24)22(31)28-12-4-7-19(28)21(30)26-17-9-8-14-15(17)5-3-6-16(14)23/h3,5-6,13,17-19,25H,4,7-12,24H2,1-2H3,(H,26,30)(H,27,29)/t13-,17+,18-,19+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465647
PNG
(CHEMBL4281278)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 |r|
Show InChI InChI=1S/C29H32F2N6O5S/c1-18(32-2)27(38)36-25(17-34-28(39)20-8-10-23(11-9-20)43(31,41)42)29(40)37-12-4-7-26(37)24-16-33-15-22(35-24)14-19-5-3-6-21(30)13-19/h3,5-6,8-11,13,15-16,18,25-26,32H,4,7,12,14,17H2,1-2H3,(H,34,39)(H,36,38)/t18-,25-,26+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from XIAP BIR3 Lys322A mutant (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465625
PNG
(CHEMBL4288451)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r|
Show InChI InChI=1S/C27H33FN4O6S/c1-16(29-2)25(33)31-23(15-17-8-10-18(11-9-17)39(36,37)38)27(35)32-14-4-7-24(32)26(34)30-22-13-12-19-20(22)5-3-6-21(19)28/h3,5-6,8-11,16,22-24,29H,4,7,12-15H2,1-2H3,(H,30,34)(H,31,33)(H,36,37,38)/t16-,22+,23-,24-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465625
PNG
(CHEMBL4288451)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r|
Show InChI InChI=1S/C27H33FN4O6S/c1-16(29-2)25(33)31-23(15-17-8-10-18(11-9-17)39(36,37)38)27(35)32-14-4-7-24(32)26(34)30-22-13-12-19-20(22)5-3-6-21(19)28/h3,5-6,8-11,16,22-24,29H,4,7,12-15H2,1-2H3,(H,30,34)(H,31,33)(H,36,37,38)/t16-,22+,23-,24-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465646
PNG
(CHEMBL4277802)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r|
Show InChI InChI=1S/C27H32FN5O5/c1-16(29-2)25(34)31-23(15-17-8-10-18(11-9-17)33(37)38)27(36)32-14-4-7-24(32)26(35)30-22-13-12-19-20(22)5-3-6-21(19)28/h3,5-6,8-11,16,22-24,29H,4,7,12-15H2,1-2H3,(H,30,35)(H,31,34)/t16-,22+,23-,24-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465625
PNG
(CHEMBL4288451)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r|
Show InChI InChI=1S/C27H33FN4O6S/c1-16(29-2)25(33)31-23(15-17-8-10-18(11-9-17)39(36,37)38)27(35)32-14-4-7-24(32)26(34)30-22-13-12-19-20(22)5-3-6-21(19)28/h3,5-6,8-11,16,22-24,29H,4,7,12-15H2,1-2H3,(H,30,34)(H,31,33)(H,36,37,38)/t16-,22+,23-,24-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465634
PNG
(CHEMBL4291176)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C28H38N5O7P/c1-18(30-2)26(35)32-23(16-20-10-12-21(13-11-20)17-41(38,39)40)28(37)33-14-6-9-24(33)27(36)31-22(25(29)34)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-24,30H,6,9,14-17H2,1-2H3,(H2,29,34)(H,31,36)(H,32,35)(H2,38,39,40)/t18-,22-,23-,24-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465645
PNG
(CHEMBL4288478)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r|
Show InChI InChI=1S/C29H33F5N4O3/c1-15-12-17(22(31)14-20(15)29(32,33)34)13-24(37-26(39)16(2)35-3)28(41)38-11-5-8-25(38)27(40)36-23-10-9-18-19(23)6-4-7-21(18)30/h4,6-7,12,14,16,23-25,35H,5,8-11,13H2,1-3H3,(H,36,40)(H,37,39)/t16-,23+,24-,25-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465623
PNG
(CHEMBL4283320)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C27H35N5O7S/c1-17(29-2)25(34)31-22(16-19-10-12-20(13-11-19)40(37,38)39)27(36)32-14-6-9-23(32)26(35)30-21(24(28)33)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,29H,6,9,14-16H2,1-2H3,(H2,28,33)(H,30,35)(H,31,34)(H,37,38,39)/t17-,21-,22-,23-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465626
PNG
(CHEMBL4291896)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cccc(c1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C28H35FN6O7S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-6-11-20(15-19)43(29,41)42)28(40)35-13-7-12-23(35)27(39)33-21(24(30)36)14-18-8-4-3-5-9-18/h3-6,8-11,15,17,21-23,31H,7,12-14,16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465633
PNG
(CHEMBL4280168)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C23H35N5O4/c1-14(2)19(27-21(30)15(3)25-4)23(32)28-12-8-11-18(28)22(31)26-17(20(24)29)13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19,25H,8,11-13H2,1-4H3,(H2,24,29)(H,26,31)(H,27,30)/t15-,17-,18-,19-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50388975
PNG
(CHEMBL2063869)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r|
Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465646
PNG
(CHEMBL4277802)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r|
Show InChI InChI=1S/C27H32FN5O5/c1-16(29-2)25(34)31-23(15-17-8-10-18(11-9-17)33(37)38)27(36)32-14-4-7-24(32)26(35)30-22-13-12-19-20(22)5-3-6-21(19)28/h3,5-6,8-11,16,22-24,29H,4,7,12-15H2,1-2H3,(H,30,35)(H,31,34)/t16-,22+,23-,24-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465630
PNG
(CHEMBL4276715)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r|
Show InChI InChI=1S/C22H32FN5O3/c1-13(25-2)20(29)27-18(10-11-24)22(31)28-12-4-7-19(28)21(30)26-17-9-8-14-15(17)5-3-6-16(14)23/h3,5-6,13,17-19,25H,4,7-12,24H2,1-2H3,(H,26,30)(H,27,29)/t13-,17+,18-,19+/m0/s1
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n/an/a 57n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465630
PNG
(CHEMBL4276715)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r|
Show InChI InChI=1S/C22H32FN5O3/c1-13(25-2)20(29)27-18(10-11-24)22(31)28-12-4-7-19(28)21(30)26-17-9-8-14-15(17)5-3-6-16(14)23/h3,5-6,13,17-19,25H,4,7-12,24H2,1-2H3,(H,26,30)(H,27,29)/t13-,17+,18-,19+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465646
PNG
(CHEMBL4277802)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r|
Show InChI InChI=1S/C27H32FN5O5/c1-16(29-2)25(34)31-23(15-17-8-10-18(11-9-17)33(37)38)27(36)32-14-4-7-24(32)26(35)30-22-13-12-19-20(22)5-3-6-21(19)28/h3,5-6,8-11,16,22-24,29H,4,7,12-15H2,1-2H3,(H,30,35)(H,31,34)/t16-,22+,23-,24-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465633
PNG
(CHEMBL4280168)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C23H35N5O4/c1-14(2)19(27-21(30)15(3)25-4)23(32)28-12-8-11-18(28)22(31)26-17(20(24)29)13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19,25H,8,11-13H2,1-4H3,(H2,24,29)(H,26,31)(H,27,30)/t15-,17-,18-,19-/m0/s1
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n/an/a 108n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465623
PNG
(CHEMBL4283320)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C27H35N5O7S/c1-17(29-2)25(34)31-22(16-19-10-12-20(13-11-19)40(37,38)39)27(36)32-14-6-9-23(32)26(35)30-21(24(28)33)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,29H,6,9,14-16H2,1-2H3,(H2,28,33)(H,30,35)(H,31,34)(H,37,38,39)/t17-,21-,22-,23-/m0/s1
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n/an/a 144n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465629
PNG
(CHEMBL4288043)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(c(Cl)c1)C(F)(F)F)C(=O)N1CCC[C@@H]1c1cncc(Cc2ccccc2)n1 |r|
Show InChI InChI=1S/C29H31ClF3N5O2/c1-18(34-2)27(39)37-24(15-20-10-11-22(23(30)14-20)29(31,32)33)28(40)38-12-6-9-26(38)25-17-35-16-21(36-25)13-19-7-4-3-5-8-19/h3-5,7-8,10-11,14,16-18,24,26,34H,6,9,12-13,15H2,1-2H3,(H,37,39)/t18-,24-,26+/m0/s1
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n/an/a 176n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465631
PNG
(CHEMBL4277819)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C28H35FN6O7S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-12-20(13-11-19)43(29,41)42)28(40)35-14-6-9-23(35)27(39)33-21(24(30)36)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,31H,6,9,14-16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1
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n/an/a 181n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465632
PNG
(CHEMBL4276740)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1 |r|
Show InChI InChI=1S/C29H32F2N6O5S/c1-18(32-2)27(38)36-25(17-34-28(39)20-8-10-23(11-9-20)43(31,41)42)29(40)37-12-4-7-26(37)24-16-33-15-22(35-24)14-19-5-3-6-21(30)13-19/h3,5-6,8-11,13,15-16,18,25-26,32H,4,7,12,14,17H2,1-2H3,(H,34,39)(H,36,38)/t18-,25-,26-/m0/s1
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n/an/a 189n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465628
PNG
(CHEMBL4283597)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@@H]1c1cncc(Cc2ccccc2)n1 |r|
Show InChI InChI=1S/C28H33N5O5S/c1-19(29-2)27(34)32-24(16-21-10-12-23(13-11-21)39(36,37)38)28(35)33-14-6-9-26(33)25-18-30-17-22(31-25)15-20-7-4-3-5-8-20/h3-5,7-8,10-13,17-19,24,26,29H,6,9,14-16H2,1-2H3,(H,32,34)(H,36,37,38)/t19-,24-,26+/m0/s1
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n/an/a 191n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465634
PNG
(CHEMBL4291176)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C28H38N5O7P/c1-18(30-2)26(35)32-23(16-20-10-12-21(13-11-20)17-41(38,39)40)28(37)33-14-6-9-24(33)27(36)31-22(25(29)34)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-24,30H,6,9,14-17H2,1-2H3,(H2,29,34)(H,31,36)(H,32,35)(H2,38,39,40)/t18-,22-,23-,24-/m0/s1
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n/an/a 198n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465647
PNG
(CHEMBL4281278)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 |r|
Show InChI InChI=1S/C29H32F2N6O5S/c1-18(32-2)27(38)36-25(17-34-28(39)20-8-10-23(11-9-20)43(31,41)42)29(40)37-12-4-7-26(37)24-16-33-15-22(35-24)14-19-5-3-6-21(30)13-19/h3,5-6,8-11,13,15-16,18,25-26,32H,4,7,12,14,17H2,1-2H3,(H,34,39)(H,36,38)/t18-,25-,26+/m0/s1
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n/an/a>200n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465633
PNG
(CHEMBL4280168)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C23H35N5O4/c1-14(2)19(27-21(30)15(3)25-4)23(32)28-12-8-11-18(28)22(31)26-17(20(24)29)13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19,25H,8,11-13H2,1-4H3,(H2,24,29)(H,26,31)(H,27,30)/t15-,17-,18-,19-/m0/s1
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n/an/a 209n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465626
PNG
(CHEMBL4291896)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cccc(c1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C28H35FN6O7S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-6-11-20(15-19)43(29,41)42)28(40)35-13-7-12-23(35)27(39)33-21(24(30)36)14-18-8-4-3-5-9-18/h3-6,8-11,15,17,21-23,31H,7,12-14,16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1
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n/an/a 212n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465644
PNG
(CHEMBL4281250)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)N1CCC[C@@H]1C(=O)NC1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C28H37N4O6P/c1-18(29-2)26(33)31-24(14-19-9-11-20(12-10-19)17-39(36,37)38)28(35)32-13-5-8-25(32)27(34)30-23-15-21-6-3-4-7-22(21)16-23/h3-4,6-7,9-12,18,23-25,29H,5,8,13-17H2,1-2H3,(H,30,34)(H,31,33)(H2,36,37,38)/t18-,24-,25+/m0/s1
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n/an/a 215n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465622
PNG
(CHEMBL4291444)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)NC1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C27H34N4O6S/c1-17(28-2)25(32)30-23(14-18-9-11-22(12-10-18)38(35,36)37)27(34)31-13-5-8-24(31)26(33)29-21-15-19-6-3-4-7-20(19)16-21/h3-4,6-7,9-12,17,21,23-24,28H,5,8,13-16H2,1-2H3,(H,29,33)(H,30,32)(H,35,36,37)/t17-,23-,24-/m0/s1
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n/an/a 229n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465626
PNG
(CHEMBL4291896)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cccc(c1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C28H35FN6O7S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-6-11-20(15-19)43(29,41)42)28(40)35-13-7-12-23(35)27(39)33-21(24(30)36)14-18-8-4-3-5-9-18/h3-6,8-11,15,17,21-23,31H,7,12-14,16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1
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n/an/a 264n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465648
PNG
(CHEMBL4291873)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)N1CCC[C@@H]1c1cncc(Cc2ccccc2)n1 |r|
Show InChI InChI=1S/C29H36N5O5P/c1-20(30-2)28(35)33-25(16-22-10-12-23(13-11-22)19-40(37,38)39)29(36)34-14-6-9-27(34)26-18-31-17-24(32-26)15-21-7-4-3-5-8-21/h3-5,7-8,10-13,17-18,20,25,27,30H,6,9,14-16,19H2,1-2H3,(H,33,35)(H2,37,38,39)/t20-,25-,27+/m0/s1
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n/an/a 276n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465631
PNG
(CHEMBL4277819)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C28H35FN6O7S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-12-20(13-11-19)43(29,41)42)28(40)35-14-6-9-23(35)27(39)33-21(24(30)36)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,31H,6,9,14-16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1
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n/an/a 304n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465647
PNG
(CHEMBL4281278)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 |r|
Show InChI InChI=1S/C29H32F2N6O5S/c1-18(32-2)27(38)36-25(17-34-28(39)20-8-10-23(11-9-20)43(31,41)42)29(40)37-12-4-7-26(37)24-16-33-15-22(35-24)14-19-5-3-6-21(30)13-19/h3,5-6,8-11,13,15-16,18,25-26,32H,4,7,12,14,17H2,1-2H3,(H,34,39)(H,36,38)/t18-,25-,26+/m0/s1
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n/an/a 353n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465629
PNG
(CHEMBL4288043)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(c(Cl)c1)C(F)(F)F)C(=O)N1CCC[C@@H]1c1cncc(Cc2ccccc2)n1 |r|
Show InChI InChI=1S/C29H31ClF3N5O2/c1-18(34-2)27(39)37-24(15-20-10-11-22(23(30)14-20)29(31,32)33)28(40)38-12-6-9-26(38)25-17-35-16-21(36-25)13-19-7-4-3-5-8-19/h3-5,7-8,10-11,14,16-18,24,26,34H,6,9,12-13,15H2,1-2H3,(H,37,39)/t18-,24-,26+/m0/s1
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n/an/a 353n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465634
PNG
(CHEMBL4291176)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C28H38N5O7P/c1-18(30-2)26(35)32-23(16-20-10-12-21(13-11-20)17-41(38,39)40)28(37)33-14-6-9-24(33)27(36)31-22(25(29)34)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-24,30H,6,9,14-17H2,1-2H3,(H2,29,34)(H,31,36)(H,32,35)(H2,38,39,40)/t18-,22-,23-,24-/m0/s1
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n/an/a 364n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465622
PNG
(CHEMBL4291444)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)NC1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C27H34N4O6S/c1-17(28-2)25(32)30-23(14-18-9-11-22(12-10-18)38(35,36)37)27(34)31-13-5-8-24(31)26(33)29-21-15-19-6-3-4-7-20(19)16-21/h3-4,6-7,9-12,17,21,23-24,28H,5,8,13-16H2,1-2H3,(H,29,33)(H,30,32)(H,35,36,37)/t17-,23-,24-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465622
PNG
(CHEMBL4291444)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)NC1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C27H34N4O6S/c1-17(28-2)25(32)30-23(14-18-9-11-22(12-10-18)38(35,36)37)27(34)31-13-5-8-24(31)26(33)29-21-15-19-6-3-4-7-20(19)16-21/h3-4,6-7,9-12,17,21,23-24,28H,5,8,13-16H2,1-2H3,(H,29,33)(H,30,32)(H,35,36,37)/t17-,23-,24-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465632
PNG
(CHEMBL4276740)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1 |r|
Show InChI InChI=1S/C29H32F2N6O5S/c1-18(32-2)27(38)36-25(17-34-28(39)20-8-10-23(11-9-20)43(31,41)42)29(40)37-12-4-7-26(37)24-16-33-15-22(35-24)14-19-5-3-6-21(30)13-19/h3,5-6,8-11,13,15-16,18,25-26,32H,4,7,12,14,17H2,1-2H3,(H,34,39)(H,36,38)/t18-,25-,26-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465628
PNG
(CHEMBL4283597)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@@H]1c1cncc(Cc2ccccc2)n1 |r|
Show InChI InChI=1S/C28H33N5O5S/c1-19(29-2)27(34)32-24(16-21-10-12-23(13-11-21)39(36,37)38)28(35)33-14-6-9-26(33)25-18-30-17-22(31-25)15-20-7-4-3-5-8-20/h3-5,7-8,10-13,17-19,24,26,29H,6,9,14-16H2,1-2H3,(H,32,34)(H,36,37,38)/t19-,24-,26+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465632
PNG
(CHEMBL4276740)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1 |r|
Show InChI InChI=1S/C29H32F2N6O5S/c1-18(32-2)27(38)36-25(17-34-28(39)20-8-10-23(11-9-20)43(31,41)42)29(40)37-12-4-7-26(37)24-16-33-15-22(35-24)14-19-5-3-6-21(30)13-19/h3,5-6,8-11,13,15-16,18,25-26,32H,4,7,12,14,17H2,1-2H3,(H,34,39)(H,36,38)/t18-,25-,26-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465628
PNG
(CHEMBL4283597)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@@H]1c1cncc(Cc2ccccc2)n1 |r|
Show InChI InChI=1S/C28H33N5O5S/c1-19(29-2)27(34)32-24(16-21-10-12-23(13-11-21)39(36,37)38)28(35)33-14-6-9-26(33)25-18-30-17-22(31-25)15-20-7-4-3-5-8-20/h3-5,7-8,10-13,17-19,24,26,29H,6,9,14-16H2,1-2H3,(H,32,34)(H,36,37,38)/t19-,24-,26+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50465647
PNG
(CHEMBL4281278)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 |r|
Show InChI InChI=1S/C29H32F2N6O5S/c1-18(32-2)27(38)36-25(17-34-28(39)20-8-10-23(11-9-20)43(31,41)42)29(40)37-12-4-7-26(37)24-16-33-15-22(35-24)14-19-5-3-6-21(30)13-19/h3,5-6,8-11,13,15-16,18,25-26,32H,4,7,12,14,17H2,1-2H3,(H,34,39)(H,36,38)/t18-,25-,26+/m0/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from XIAP BIR3 Lys311E mutant (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465644
PNG
(CHEMBL4281250)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)N1CCC[C@@H]1C(=O)NC1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C28H37N4O6P/c1-18(29-2)26(33)31-24(14-19-9-11-20(12-10-19)17-39(36,37)38)28(35)32-13-5-8-25(32)27(34)30-23-15-21-6-3-4-7-22(21)16-23/h3-4,6-7,9-12,18,23-25,29H,5,8,13-17H2,1-2H3,(H,30,34)(H,31,33)(H2,36,37,38)/t18-,24-,25+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50465644
PNG
(CHEMBL4281250)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)N1CCC[C@@H]1C(=O)NC1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C28H37N4O6P/c1-18(29-2)26(33)31-24(14-19-9-11-20(12-10-19)17-39(36,37)38)28(35)32-13-5-8-25(32)27(34)30-23-15-21-6-3-4-7-22(21)16-23/h3-4,6-7,9-12,18,23-25,29H,5,8,13-17H2,1-2H3,(H,30,34)(H,31,33)(H2,36,37,38)/t18-,24-,25+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM50465648
PNG
(CHEMBL4291873)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)N1CCC[C@@H]1c1cncc(Cc2ccccc2)n1 |r|
Show InChI InChI=1S/C29H36N5O5P/c1-20(30-2)28(35)33-25(16-22-10-12-23(13-11-22)19-40(37,38)39)29(36)34-14-6-9-27(34)26-18-31-17-24(32-26)15-21-7-4-3-5-8-21/h3-5,7-8,10-13,17-18,20,25,27,30H,6,9,14-16,19H2,1-2H3,(H,33,35)(H2,37,38,39)/t20-,25-,27+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.50E+3n/an/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA


J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair
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