Found 86 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001129
(CHEMBL3236390)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001129
(CHEMBL3236390)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001129
(CHEMBL3236390)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1 | PDB
KEGG
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001129
(CHEMBL3236390)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001134
(CHEMBL3236073)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(F)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H35FN4O2/c1-16(26-2)23(30)27-21-5-3-4-20-14-18-11-13-28(15-22(18)29(20)24(21)31)12-10-17-6-8-19(25)9-7-17/h6-9,16,18,20-22,26H,3-5,10-15H2,1-2H3,(H,27,30)/t16-,18+,20-,21-,22+/m0/s1 | PDB
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PC cid
PC sid
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001132
(CHEMBL3236071)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(Br)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H35BrN4O2/c1-16(26-2)23(30)27-21-5-3-4-20-14-18-11-13-28(15-22(18)29(20)24(21)31)12-10-17-6-8-19(25)9-7-17/h6-9,16,18,20-22,26H,3-5,10-15H2,1-2H3,(H,27,30)/t16-,18+,20-,21-,22+/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50364485
(CHEMBL1950720)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H]2CCN(CCc3ccccc3)C[C@@H]12 |r| Show InChI InChI=1S/C27H42N4O2/c1-20(28-2)26(32)29-25(23-11-7-4-8-12-23)27(33)31-18-15-22-14-17-30(19-24(22)31)16-13-21-9-5-3-6-10-21/h3,5-6,9-10,20,22-25,28H,4,7-8,11-19H2,1-2H3,(H,29,32)/t20-,22+,24+,25-/m0/s1 | PDB
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001133
(CHEMBL3236072)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccccc4F)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H35FN4O2/c1-16(26-2)23(30)27-21-9-5-7-19-14-18-11-13-28(15-22(18)29(19)24(21)31)12-10-17-6-3-4-8-20(17)25/h3-4,6,8,16,18-19,21-22,26H,5,7,9-15H2,1-2H3,(H,27,30)/t16-,18+,19-,21-,22+/m0/s1 | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001139
(CHEMBL3236078)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccccc4C)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O2/c1-17-7-4-5-8-19(17)11-13-28-14-12-20-15-21-9-6-10-22(27-24(30)18(2)26-3)25(31)29(21)23(20)16-28/h4-5,7-8,18,20-23,26H,6,9-16H2,1-3H3,(H,27,30)/t18-,20+,21-,22-,23+/m0/s1 | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001078
(CHEMBL3236081)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(Cl)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H35ClN4O2/c1-16(26-2)23(30)27-21-5-3-4-20-14-18-11-13-28(15-22(18)29(20)24(21)31)12-10-17-6-8-19(25)9-7-17/h6-9,16,18,20-22,26H,3-5,10-15H2,1-2H3,(H,27,30)/t16-,18+,20-,21-,22+/m0/s1 | PDB
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| Article
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001131
(CHEMBL3233043)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccccc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H36N4O2/c1-17(25-2)23(29)26-21-10-6-9-20-15-19-12-14-27(16-22(19)28(20)24(21)30)13-11-18-7-4-3-5-8-18/h3-5,7-8,17,19-22,25H,6,9-16H2,1-2H3,(H,26,29)/t17-,19+,20-,21-,22+/m0/s1 | PDB
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UniChem
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001079
(CHEMBL3236366)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(Cl)c(Cl)c4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H34Cl2N4O2/c1-15(27-2)23(31)28-21-5-3-4-18-13-17-9-11-29(14-22(17)30(18)24(21)32)10-8-16-6-7-19(25)20(26)12-16/h6-7,12,15,17-18,21-22,27H,3-5,8-11,13-14H2,1-2H3,(H,28,31)/t15-,17+,18-,21-,22+/m0/s1 | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001135
(CHEMBL3236074)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccccc4OC)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O3/c1-17(26-2)24(30)27-21-9-6-8-20-15-19-12-14-28(16-22(19)29(20)25(21)31)13-11-18-7-4-5-10-23(18)32-3/h4-5,7,10,17,19-22,26H,6,8-9,11-16H2,1-3H3,(H,27,30)/t17-,19+,20-,21-,22+/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001080
(CHEMBL3236367)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(cc4)[N+]([O-])=O)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H35N5O4/c1-16(25-2)23(30)26-21-5-3-4-20-14-18-11-13-27(15-22(18)28(20)24(21)31)12-10-17-6-8-19(9-7-17)29(32)33/h6-9,16,18,20-22,25H,3-5,10-15H2,1-2H3,(H,26,30)/t16-,18+,20-,21-,22+/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001130
(CHEMBL3236070)Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C(C(=O)Nc1cc(C)nn1-c1ccccc1)C(C)(C)S2 |r| Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21?/m0/s1 | PDB
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001125
(CHEMBL3236386)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C23H32N4O4/c1-15(24-2)21(28)25-19-10-6-7-17-13-16-11-12-26(14-20(16)27(17)22(19)29)23(30)31-18-8-4-3-5-9-18/h3-5,8-9,15-17,19-20,24H,6-7,10-14H2,1-2H3,(H,25,28)/t15-,16+,17-,19-,20+/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001138
(CHEMBL3236077)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(O)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H36N4O3/c1-16(25-2)23(30)26-21-5-3-4-19-14-18-11-13-27(15-22(18)28(19)24(21)31)12-10-17-6-8-20(29)9-7-17/h6-9,16,18-19,21-22,25,29H,3-5,10-15H2,1-2H3,(H,26,30)/t16-,18+,19-,21-,22+/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001083
(CHEMBL3236369)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4c[nH]c5ccccc45)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C26H37N5O2/c1-17(27-2)25(32)29-23-9-5-6-20-14-18-10-12-30(16-24(18)31(20)26(23)33)13-11-19-15-28-22-8-4-3-7-21(19)22/h3-4,7-8,15,17-18,20,23-24,27-28H,5-6,9-14,16H2,1-2H3,(H,29,32)/t17-,18+,20-,23-,24+/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001101
(CHEMBL3236381)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C24H34N4O3/c1-16(25-2)23(30)26-20-10-6-9-19-14-18-11-12-27(15-21(18)28(19)24(20)31)22(29)13-17-7-4-3-5-8-17/h3-5,7-8,16,18-21,25H,6,9-15H2,1-2H3,(H,26,30)/t16-,18+,19-,20-,21+/m0/s1 | PDB
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| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001136
(CHEMBL3236075)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4cccc(OC)c4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O3/c1-17(26-2)24(30)27-22-9-5-7-20-15-19-11-13-28(16-23(19)29(20)25(22)31)12-10-18-6-4-8-21(14-18)32-3/h4,6,8,14,17,19-20,22-23,26H,5,7,9-13,15-16H2,1-3H3,(H,27,30)/t17-,19+,20-,22-,23+/m0/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001077
(CHEMBL3236080)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(C)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O2/c1-17-7-9-19(10-8-17)11-13-28-14-12-20-15-21-5-4-6-22(27-24(30)18(2)26-3)25(31)29(21)23(20)16-28/h7-10,18,20-23,26H,4-6,11-16H2,1-3H3,(H,27,30)/t18-,20+,21-,22-,23+/m0/s1 | PDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001081
(CHEMBL3233046)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(cc4)C(F)(F)F)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H35F3N4O2/c1-16(29-2)23(33)30-21-5-3-4-20-14-18-11-13-31(15-22(18)32(20)24(21)34)12-10-17-6-8-19(9-7-17)25(26,27)28/h6-9,16,18,20-22,29H,3-5,10-15H2,1-2H3,(H,30,33)/t16-,18+,20-,21-,22+/m0/s1 | PDB
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| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001076
(CHEMBL3236079)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4cccc(C)c4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O2/c1-17-6-4-7-19(14-17)10-12-28-13-11-20-15-21-8-5-9-22(27-24(30)18(2)26-3)25(31)29(21)23(20)16-28/h4,6-7,14,18,20-23,26H,5,8-13,15-16H2,1-3H3,(H,27,30)/t18-,20+,21-,22-,23+/m0/s1 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001137
(CHEMBL3236076)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(OC)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O3/c1-17(26-2)24(30)27-22-6-4-5-20-15-19-12-14-28(16-23(19)29(20)25(22)31)13-11-18-7-9-21(32-3)10-8-18/h7-10,17,19-20,22-23,26H,4-6,11-16H2,1-3H3,(H,27,30)/t17-,19+,20-,22-,23+/m0/s1 | PDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001082
(CHEMBL3236368)Show SMILES [H][C@]12C[C@@]3([H])CCN(CC(C)c4ccccc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O2/c1-17(19-8-5-4-6-9-19)15-28-13-12-20-14-21-10-7-11-22(27-24(30)18(2)26-3)25(31)29(21)23(20)16-28/h4-6,8-9,17-18,20-23,26H,7,10-16H2,1-3H3,(H,27,30)/t17?,18-,20+,21-,22-,23+/m0/s1 | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001122
(CHEMBL3236383)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(COCC#C)c1ccccc1 |r| Show InChI InChI=1S/C28H38N4O4/c1-4-15-36-18-23(20-9-6-5-7-10-20)27(34)31-14-13-21-16-22-11-8-12-24(30-26(33)19(2)29-3)28(35)32(22)25(21)17-31/h1,5-7,9-10,19,21-25,29H,8,11-18H2,2-3H3,(H,30,33)/t19-,21+,22-,23?,24-,25+/m0/s1 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001122
(CHEMBL3236383)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(COCC#C)c1ccccc1 |r| Show InChI InChI=1S/C28H38N4O4/c1-4-15-36-18-23(20-9-6-5-7-10-20)27(34)31-14-13-21-16-22-11-8-12-24(30-26(33)19(2)29-3)28(35)32(22)25(21)17-31/h1,5-7,9-10,19,21-25,29H,8,11-18H2,2-3H3,(H,30,33)/t19-,21+,22-,23?,24-,25+/m0/s1 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001126
(CHEMBL3236387)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C23H33N5O3/c1-15(24-2)21(29)26-19-10-6-9-18-13-16-11-12-27(14-20(16)28(18)22(19)30)23(31)25-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,24H,6,9-14H2,1-2H3,(H,25,31)(H,26,29)/t15-,16+,18-,19-,20+/m0/s1 | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001124
(CHEMBL3236385)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C24H34N4O4/c1-16(25-2)22(29)26-20-10-6-9-19-13-18-11-12-27(14-21(18)28(19)23(20)30)24(31)32-15-17-7-4-3-5-8-17/h3-5,7-8,16,18-21,25H,6,9-15H2,1-2H3,(H,26,29)/t16-,18+,19-,20-,21+/m0/s1 | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001084
(CHEMBL3236370)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4scnc4C)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C22H35N5O2S/c1-14-20(30-13-24-14)8-10-26-9-7-16-11-17-5-4-6-18(25-21(28)15(2)23-3)22(29)27(17)19(16)12-26/h13,15-19,23H,4-12H2,1-3H3,(H,25,28)/t15-,16+,17-,18-,19+/m0/s1 | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001096
(CHEMBL3236376)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCC4CCCCC4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H42N4O2/c1-17(25-2)23(29)26-21-10-6-9-20-15-19-12-14-27(16-22(19)28(20)24(21)30)13-11-18-7-4-3-5-8-18/h17-22,25H,3-16H2,1-2H3,(H,26,29)/t17-,19+,20-,21-,22+/m0/s1 | PDB
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| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001102
(CHEMBL3236382)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H38N4O3/c1-20(31-2)28(35)32-25-15-9-14-24-18-23-16-17-33(19-26(23)34(24)29(25)36)30(37)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-27,31H,9,14-19H2,1-2H3,(H,32,35)/t20-,23+,24-,25-,26+/m0/s1 | PDB
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001124
(CHEMBL3236385)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C24H34N4O4/c1-16(25-2)22(29)26-20-10-6-9-19-13-18-11-12-27(14-21(18)28(19)23(20)30)24(31)32-15-17-7-4-3-5-8-17/h3-5,7-8,16,18-21,25H,6,9-15H2,1-2H3,(H,26,29)/t16-,18+,19-,20-,21+/m0/s1 | PDB
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PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001085
(CHEMBL3236371)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccccn4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C23H35N5O2/c1-16(24-2)22(29)26-20-8-5-7-19-14-17-9-12-27(15-21(17)28(19)23(20)30)13-10-18-6-3-4-11-25-18/h3-4,6,11,16-17,19-21,24H,5,7-10,12-15H2,1-2H3,(H,26,29)/t16-,17+,19-,20-,21+/m0/s1 | PDB
KEGG
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001094
(CHEMBL3236374)Show SMILES [H][C@]12C[C@@]3([H])CCN(Cc4ccccc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C23H34N4O2/c1-16(24-2)22(28)25-20-10-6-9-19-13-18-11-12-26(14-17-7-4-3-5-8-17)15-21(18)27(19)23(20)29/h3-5,7-8,16,18-21,24H,6,9-15H2,1-2H3,(H,25,28)/t16-,18+,19-,20-,21+/m0/s1 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001122
(CHEMBL3236383)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(COCC#C)c1ccccc1 |r| Show InChI InChI=1S/C28H38N4O4/c1-4-15-36-18-23(20-9-6-5-7-10-20)27(34)31-14-13-21-16-22-11-8-12-24(30-26(33)19(2)29-3)28(35)32(22)25(21)17-31/h1,5-7,9-10,19,21-25,29H,8,11-18H2,2-3H3,(H,30,33)/t19-,21+,22-,23?,24-,25+/m0/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001122
(CHEMBL3236383)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(COCC#C)c1ccccc1 |r| Show InChI InChI=1S/C28H38N4O4/c1-4-15-36-18-23(20-9-6-5-7-10-20)27(34)31-14-13-21-16-22-11-8-12-24(30-26(33)19(2)29-3)28(35)32(22)25(21)17-31/h1,5-7,9-10,19,21-25,29H,8,11-18H2,2-3H3,(H,30,33)/t19-,21+,22-,23?,24-,25+/m0/s1 | PDB
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antibodypedia
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UniChem
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PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001097
(CHEMBL3236377)Show SMILES [H][C@]12C[C@@]3([H])CCN(CC4CCCCC4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C23H40N4O2/c1-16(24-2)22(28)25-20-10-6-9-19-13-18-11-12-26(14-17-7-4-3-5-8-17)15-21(18)27(19)23(20)29/h16-21,24H,3-15H2,1-2H3,(H,25,28)/t16-,18+,19-,20-,21+/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001101
(CHEMBL3236381)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C24H34N4O3/c1-16(25-2)23(30)26-20-10-6-9-19-14-18-11-12-27(15-21(18)28(19)24(20)31)22(29)13-17-7-4-3-5-8-17/h3-5,7-8,16,18-21,25H,6,9-15H2,1-2H3,(H,26,30)/t16-,18+,19-,20-,21+/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001130
(CHEMBL3236070)Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C(C(=O)Nc1cc(C)nn1-c1ccccc1)C(C)(C)S2 |r| Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21?/m0/s1 | PDB
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PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001102
(CHEMBL3236382)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H38N4O3/c1-20(31-2)28(35)32-25-15-9-14-24-18-23-16-17-33(19-26(23)34(24)29(25)36)30(37)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-27,31H,9,14-19H2,1-2H3,(H,32,35)/t20-,23+,24-,25-,26+/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001131
(CHEMBL3233043)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccccc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H36N4O2/c1-17(25-2)23(29)26-21-10-6-9-20-15-19-12-14-27(16-22(19)28(20)24(21)30)13-11-18-7-4-3-5-8-18/h3-5,7-8,17,19-22,25H,6,9-16H2,1-2H3,(H,26,29)/t17-,19+,20-,21-,22+/m0/s1 | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50364485
(CHEMBL1950720)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H]2CCN(CCc3ccccc3)C[C@@H]12 |r| Show InChI InChI=1S/C27H42N4O2/c1-20(28-2)26(32)29-25(23-11-7-4-8-12-23)27(33)31-18-15-22-14-17-30(19-24(22)31)16-13-21-9-5-3-6-10-21/h3,5-6,9-10,20,22-25,28H,4,7-8,11-19H2,1-2H3,(H,29,32)/t20-,22+,24+,25-/m0/s1 | PDB
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001133
(CHEMBL3236072)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccccc4F)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H35FN4O2/c1-16(26-2)23(30)27-21-9-5-7-19-14-18-11-13-28(15-22(18)29(19)24(21)31)12-10-17-6-3-4-8-20(17)25/h3-4,6,8,16,18-19,21-22,26H,5,7,9-15H2,1-2H3,(H,27,30)/t16-,18+,19-,21-,22+/m0/s1 | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001100
(CHEMBL3236380)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCCC)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C20H36N4O2/c1-4-5-10-23-11-9-15-12-16-7-6-8-17(22-19(25)14(2)21-3)20(26)24(16)18(15)13-23/h14-18,21H,4-13H2,1-3H3,(H,22,25)/t14-,15+,16-,17-,18+/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001125
(CHEMBL3236386)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C23H32N4O4/c1-15(24-2)21(28)25-19-10-6-7-17-13-16-11-12-26(14-20(16)27(17)22(19)29)23(30)31-18-8-4-3-5-9-18/h3-5,8-9,15-17,19-20,24H,6-7,10-14H2,1-2H3,(H,25,28)/t15-,16+,17-,19-,20+/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001095
(CHEMBL3236375)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCCc4ccccc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O2/c1-18(26-2)24(30)27-22-12-6-11-21-16-20-13-15-28(17-23(20)29(21)25(22)31)14-7-10-19-8-4-3-5-9-19/h3-5,8-9,18,20-23,26H,6-7,10-17H2,1-2H3,(H,27,30)/t18-,20+,21-,22-,23+/m0/s1 | PDB
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001084
(CHEMBL3236370)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4scnc4C)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C22H35N5O2S/c1-14-20(30-13-24-14)8-10-26-9-7-16-11-17-5-4-6-18(25-21(28)15(2)23-3)22(29)27(17)19(16)12-26/h13,15-19,23H,4-12H2,1-3H3,(H,25,28)/t15-,16+,17-,18-,19+/m0/s1 | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001134
(CHEMBL3236073)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(F)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H35FN4O2/c1-16(26-2)23(30)27-21-5-3-4-20-14-18-11-13-28(15-22(18)29(20)24(21)31)12-10-17-6-8-19(25)9-7-17/h6-9,16,18,20-22,26H,3-5,10-15H2,1-2H3,(H,27,30)/t16-,18+,20-,21-,22+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001082
(CHEMBL3236368)Show SMILES [H][C@]12C[C@@]3([H])CCN(CC(C)c4ccccc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O2/c1-17(19-8-5-4-6-9-19)15-28-13-12-20-14-21-10-7-11-22(27-24(30)18(2)26-3)25(31)29(21)23(20)16-28/h4-6,8-9,17-18,20-23,26H,7,10-16H2,1-3H3,(H,27,30)/t17?,18-,20+,21-,22-,23+/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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001139
(CHEMBL3236078)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccccc4C)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O2/c1-17-7-4-5-8-19(17)11-13-28-14-12-20-15-21-9-6-10-22(27-24(30)18(2)26-3)25(31)29(21)23(20)16-28/h4-5,7-8,18,20-23,26H,6,9-16H2,1-3H3,(H,27,30)/t18-,20+,21-,22-,23+/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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001086
(CHEMBL3236372)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCC4=C(C)OCN4C)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r,c:10| Show InChI InChI=1S/C23H39N5O3/c1-15(24-3)22(29)25-19-7-5-6-18-12-17-8-10-27(13-21(17)28(18)23(19)30)11-9-20-16(2)31-14-26(20)4/h15,17-19,21,24H,5-14H2,1-4H3,(H,25,29)/t15-,17+,18-,19-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001135
(CHEMBL3236074)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccccc4OC)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O3/c1-17(26-2)24(30)27-21-9-6-8-20-15-19-12-14-28(16-22(19)29(20)25(21)31)13-11-18-7-4-5-10-23(18)32-3/h4-5,7,10,17,19-22,26H,6,8-9,11-16H2,1-3H3,(H,27,30)/t17-,19+,20-,21-,22+/m0/s1 | PDB
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001076
(CHEMBL3236079)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4cccc(C)c4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O2/c1-17-6-4-7-19(14-17)10-12-28-13-11-20-15-21-8-5-9-22(27-24(30)18(2)26-3)25(31)29(21)23(20)16-28/h4,6-7,14,18,20-23,26H,5,8-13,15-16H2,1-3H3,(H,27,30)/t18-,20+,21-,22-,23+/m0/s1 | PDB
KEGG
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B.MOAD
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001078
(CHEMBL3236081)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(Cl)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H35ClN4O2/c1-16(26-2)23(30)27-21-5-3-4-20-14-18-11-13-28(15-22(18)29(20)24(21)31)12-10-17-6-8-19(25)9-7-17/h6-9,16,18,20-22,26H,3-5,10-15H2,1-2H3,(H,27,30)/t16-,18+,20-,21-,22+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001087
(CHEMBL3236373)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4nc5cc(C)ccc5[nH]4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C26H38N6O2/c1-16-7-8-20-22(13-16)29-24(28-20)10-12-31-11-9-18-14-19-5-4-6-21(30-25(33)17(2)27-3)26(34)32(19)23(18)15-31/h7-8,13,17-19,21,23,27H,4-6,9-12,14-15H2,1-3H3,(H,28,29)(H,30,33)/t17-,18+,19-,21-,23+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001098
(CHEMBL3236378)Show SMILES [H][C@]12C[C@@]3([H])CCN(CC(C)C)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C20H36N4O2/c1-13(2)11-23-9-8-15-10-16-6-5-7-17(22-19(25)14(3)21-4)20(26)24(16)18(15)12-23/h13-18,21H,5-12H2,1-4H3,(H,22,25)/t14-,15+,16-,17-,18+/m0/s1 | PDB
KEGG
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001127
(CHEMBL3236388)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)S(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C23H34N4O4S/c1-16(24-2)22(28)25-20-10-6-9-19-13-18-11-12-26(14-21(18)27(19)23(20)29)32(30,31)15-17-7-4-3-5-8-17/h3-5,7-8,16,18-21,24H,6,9-15H2,1-2H3,(H,25,28)/t16-,18+,19-,20-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001079
(CHEMBL3236366)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(Cl)c(Cl)c4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H34Cl2N4O2/c1-15(27-2)23(31)28-21-5-3-4-18-13-17-9-11-29(14-22(17)30(18)24(21)32)10-8-16-6-7-19(25)20(26)12-16/h6-7,12,15,17-18,21-22,27H,3-5,8-11,13-14H2,1-2H3,(H,28,31)/t15-,17+,18-,21-,22+/m0/s1 | PDB
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001138
(CHEMBL3236077)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(O)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H36N4O3/c1-16(25-2)23(30)26-21-5-3-4-19-14-18-11-13-27(15-22(18)28(19)24(21)31)12-10-17-6-8-20(29)9-7-17/h6-9,16,18-19,21-22,25,29H,3-5,10-15H2,1-2H3,(H,26,30)/t16-,18+,19-,21-,22+/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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001132
(CHEMBL3236071)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(Br)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H35BrN4O2/c1-16(26-2)23(30)27-21-5-3-4-20-14-18-11-13-28(15-22(18)29(20)24(21)31)12-10-17-6-8-19(25)9-7-17/h6-9,16,18,20-22,26H,3-5,10-15H2,1-2H3,(H,27,30)/t16-,18+,20-,21-,22+/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 | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001136
(CHEMBL3236075)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4cccc(OC)c4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O3/c1-17(26-2)24(30)27-22-9-5-7-20-15-19-11-13-28(16-23(19)29(20)25(22)31)12-10-18-6-4-8-21(14-18)32-3/h4,6,8,14,17,19-20,22-23,26H,5,7,9-13,15-16H2,1-3H3,(H,27,30)/t17-,19+,20-,22-,23+/m0/s1 | PDB
KEGG
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B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001083
(CHEMBL3236369)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4c[nH]c5ccccc45)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C26H37N5O2/c1-17(27-2)25(32)29-23-9-5-6-20-14-18-10-12-30(16-24(18)31(20)26(23)33)13-11-19-15-28-22-8-4-3-7-21(19)22/h3-4,7-8,15,17-18,20,23-24,27-28H,5-6,9-14,16H2,1-2H3,(H,29,32)/t17-,18+,20-,23-,24+/m0/s1 | PDB
KEGG
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B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001127
(CHEMBL3236388)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)S(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C23H34N4O4S/c1-16(24-2)22(28)25-20-10-6-9-19-13-18-11-12-26(14-21(18)27(19)23(20)29)32(30,31)15-17-7-4-3-5-8-17/h3-5,7-8,16,18-21,24H,6,9-15H2,1-2H3,(H,25,28)/t16-,18+,19-,20-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001077
(CHEMBL3236080)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(C)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O2/c1-17-7-9-19(10-8-17)11-13-28-14-12-20-15-21-5-4-6-22(27-24(30)18(2)26-3)25(31)29(21)23(20)16-28/h7-10,18,20-23,26H,4-6,11-16H2,1-3H3,(H,27,30)/t18-,20+,21-,22-,23+/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 | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001126
(CHEMBL3236387)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C23H33N5O3/c1-15(24-2)21(29)26-19-10-6-9-18-13-16-11-12-27(14-20(16)28(18)22(19)30)23(31)25-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,24H,6,9-14H2,1-2H3,(H,25,31)(H,26,29)/t15-,16+,18-,19-,20+/m0/s1 | PDB
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| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001128
(CHEMBL3236389)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H32N4O4S/c1-15(23-2)21(27)24-19-10-6-7-17-13-16-11-12-25(14-20(16)26(17)22(19)28)31(29,30)18-8-4-3-5-9-18/h3-5,8-9,15-17,19-20,23H,6-7,10-14H2,1-2H3,(H,24,27)/t15-,16+,17-,19-,20+/m0/s1 | PDB
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| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001128
(CHEMBL3236389)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H32N4O4S/c1-15(23-2)21(27)24-19-10-6-7-17-13-16-11-12-25(14-20(16)26(17)22(19)28)31(29,30)18-8-4-3-5-9-18/h3-5,8-9,15-17,19-20,23H,6-7,10-14H2,1-2H3,(H,24,27)/t15-,16+,17-,19-,20+/m0/s1 | PDB
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PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001080
(CHEMBL3236367)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(cc4)[N+]([O-])=O)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H35N5O4/c1-16(25-2)23(30)26-21-5-3-4-20-14-18-11-13-27(15-22(18)28(20)24(21)31)12-10-17-6-8-19(9-7-17)29(32)33/h6-9,16,18,20-22,25H,3-5,10-15H2,1-2H3,(H,26,30)/t16-,18+,20-,21-,22+/m0/s1 | PDB
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PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001137
(CHEMBL3236076)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(OC)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O3/c1-17(26-2)24(30)27-22-6-4-5-20-15-19-12-14-28(16-23(19)29(20)25(22)31)13-11-18-7-9-21(32-3)10-8-18/h7-10,17,19-20,22-23,26H,4-6,11-16H2,1-3H3,(H,27,30)/t17-,19+,20-,22-,23+/m0/s1 | PDB
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| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001099
(CHEMBL3236379)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H38N4O2/c1-20(30-2)28(34)31-25-15-9-14-24-18-23-16-17-32(19-26(23)33(24)29(25)35)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-27,30H,9,14-19H2,1-2H3,(H,31,34)/t20-,23+,24-,25-,26+/m0/s1 | PDB
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| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001095
(CHEMBL3236375)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCCc4ccccc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H38N4O2/c1-18(26-2)24(30)27-22-12-6-11-21-16-20-13-15-28(17-23(20)29(21)25(22)31)14-7-10-19-8-4-3-5-9-19/h3-5,8-9,18,20-23,26H,6-7,10-17H2,1-2H3,(H,27,30)/t18-,20+,21-,22-,23+/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001094
(CHEMBL3236374)Show SMILES [H][C@]12C[C@@]3([H])CCN(Cc4ccccc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C23H34N4O2/c1-16(24-2)22(28)25-20-10-6-9-19-13-18-11-12-26(14-17-7-4-3-5-8-17)15-21(18)27(19)23(20)29/h3-5,7-8,16,18-21,24H,6,9-15H2,1-2H3,(H,25,28)/t16-,18+,19-,20-,21+/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001123
(CHEMBL3236384)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H32N4O3/c1-15(24-2)21(28)25-19-10-6-9-18-13-17-11-12-26(14-20(17)27(18)23(19)30)22(29)16-7-4-3-5-8-16/h3-5,7-8,15,17-20,24H,6,9-14H2,1-2H3,(H,25,28)/t15-,17+,18-,19-,20+/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001140
(CHEMBL3236391)Show SMILES [H][C@@]12C[C@@]3([H])CCN(CCc4ccccc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H36N4O2/c1-17(25-2)23(29)26-21-10-6-9-20-15-19-12-14-27(16-22(19)28(20)24(21)30)13-11-18-7-4-3-5-8-18/h3-5,7-8,17,19-22,25H,6,9-16H2,1-2H3,(H,26,29)/t17-,19+,20+,21-,22+/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001098
(CHEMBL3236378)Show SMILES [H][C@]12C[C@@]3([H])CCN(CC(C)C)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C20H36N4O2/c1-13(2)11-23-9-8-15-10-16-6-5-7-17(22-19(25)14(3)21-4)20(26)24(16)18(15)12-23/h13-18,21H,5-12H2,1-4H3,(H,22,25)/t14-,15+,16-,17-,18+/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001097
(CHEMBL3236377)Show SMILES [H][C@]12C[C@@]3([H])CCN(CC4CCCCC4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C23H40N4O2/c1-16(24-2)22(28)25-20-10-6-9-19-13-18-11-12-26(14-17-7-4-3-5-8-17)15-21(18)27(19)23(20)29/h16-21,24H,3-15H2,1-2H3,(H,25,28)/t16-,18+,19-,20-,21+/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001081
(CHEMBL3233046)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(cc4)C(F)(F)F)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C25H35F3N4O2/c1-16(29-2)23(33)30-21-5-3-4-20-14-18-11-13-31(15-22(18)32(20)24(21)34)12-10-17-6-8-19(9-7-17)25(26,27)28/h6-9,16,18,20-22,29H,3-5,10-15H2,1-2H3,(H,30,33)/t16-,18+,20-,21-,22+/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001100
(CHEMBL3236380)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCCC)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C20H36N4O2/c1-4-5-10-23-11-9-15-12-16-7-6-8-17(22-19(25)14(2)21-3)20(26)24(16)18(15)13-23/h14-18,21H,4-13H2,1-3H3,(H,22,25)/t14-,15+,16-,17-,18+/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001099
(CHEMBL3236379)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H38N4O2/c1-20(30-2)28(34)31-25-15-9-14-24-18-23-16-17-32(19-26(23)33(24)29(25)35)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-27,30H,9,14-19H2,1-2H3,(H,31,34)/t20-,23+,24-,25-,26+/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001140
(CHEMBL3236391)Show SMILES [H][C@@]12C[C@@]3([H])CCN(CCc4ccccc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H36N4O2/c1-17(25-2)23(29)26-21-10-6-9-20-15-19-12-14-27(16-22(19)28(20)24(21)30)13-11-18-7-4-3-5-8-18/h3-5,7-8,17,19-22,25H,6,9-16H2,1-2H3,(H,26,29)/t17-,19+,20+,21-,22+/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001085
(CHEMBL3236371)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccccn4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C23H35N5O2/c1-16(24-2)22(29)26-20-8-5-7-19-14-17-9-12-27(15-21(17)28(19)23(20)30)13-10-18-6-3-4-11-25-18/h3-4,6,11,16-17,19-21,24H,5,7-10,12-15H2,1-2H3,(H,26,29)/t16-,17+,19-,20-,21+/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001087
(CHEMBL3236373)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4nc5cc(C)ccc5[nH]4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C26H38N6O2/c1-16-7-8-20-22(13-16)29-24(28-20)10-12-31-11-9-18-14-19-5-4-6-21(30-25(33)17(2)27-3)26(34)32(19)23(18)15-31/h7-8,13,17-19,21,23,27H,4-6,9-12,14-15H2,1-3H3,(H,28,29)(H,30,33)/t17-,18+,19-,21-,23+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001086
(CHEMBL3236372)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCC4=C(C)OCN4C)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r,c:10| Show InChI InChI=1S/C23H39N5O3/c1-15(24-3)22(29)25-19-7-5-6-18-12-17-8-10-27(13-21(17)28(18)23(19)30)11-9-20-16(2)31-14-26(20)4/h15,17-19,21,24H,5-14H2,1-4H3,(H,25,29)/t15-,17+,18-,19-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001123
(CHEMBL3236384)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H32N4O3/c1-15(24-2)21(28)25-19-10-6-9-18-13-17-11-12-26(14-20(17)27(18)23(19)30)22(29)16-7-4-3-5-8-16/h3-5,7-8,15,17-20,24H,6,9-14H2,1-2H3,(H,25,28)/t15-,17+,18-,19-,20+/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001096
(CHEMBL3236376)Show SMILES [H][C@]12C[C@@]3([H])CCN(CCC4CCCCC4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H42N4O2/c1-17(25-2)23(29)26-21-10-6-9-20-15-19-12-14-27(16-22(19)28(20)24(21)30)13-11-18-7-4-3-5-8-18/h17-22,25H,3-16H2,1-2H3,(H,26,29)/t17-,19+,20-,21-,22+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
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