Found 187 hits with Last Name = 'laing' and Initial = 'nm' 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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
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 | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50364484
(CHEMBL1950864)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1C[C@@H]2CC[C@H]1N(CCc1ccccc1)C2 |r,TLB:24:23:17.18:21.20| Show InChI InChI=1S/C27H42N4O2/c1-19(28-2)26(32)30-25(22-11-7-4-8-12-22)27(33)29-23-17-21-13-14-24(23)31(18-21)16-15-20-9-5-3-6-10-20/h3,5-6,9-10,19,21-25,28H,4,7-8,11-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23-,24+,25-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50495454
(CHEMBL3108923)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](CCc2ccccc12)OCC#C)C(C)(C)C |r| Show InChI InChI=1S/C28H40N4O4/c1-7-17-36-22-15-14-19-11-8-9-12-20(19)23(22)30-26(34)21-13-10-16-32(21)27(35)24(28(3,4)5)31-25(33)18(2)29-6/h1,8-9,11-12,18,21-24,29H,10,13-17H2,2-6H3,(H,30,34)(H,31,33)/t18-,21-,22+,23-,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of AbuRPFK-5FAM from GST-tagged cIAP1 BIR3 domain (L250 to G350) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x
BindingDB Entry DOI: 10.7270/Q23T9M6C |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50495447
(CHEMBL3108925)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H](CCc2ccccc12)OCC#C)C(C)(C)C |r| Show InChI InChI=1S/C28H40N4O4/c1-7-17-36-22-15-14-19-11-8-9-12-20(19)23(22)30-26(34)21-13-10-16-32(21)27(35)24(28(3,4)5)31-25(33)18(2)29-6/h1,8-9,11-12,18,21-24,29H,10,13-17H2,2-6H3,(H,30,34)(H,31,33)/t18-,21-,22-,23-,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of AbuRPFK-5FAM from GST-tagged cIAP1 BIR3 domain (L250 to G350) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x
BindingDB Entry DOI: 10.7270/Q23T9M6C |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50495451
(CHEMBL3108827)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r| Show InChI InChI=1S/C58H78N8O8/c1-37(59-3)53(67)61-49(39-21-9-7-10-22-39)57(71)65-31-19-29-45(65)55(69)63-51-43-27-15-13-25-41(43)35-47(51)73-33-17-5-6-18-34-74-48-36-42-26-14-16-28-44(42)52(48)64-56(70)46-30-20-32-66(46)58(72)50(40-23-11-8-12-24-40)62-54(68)38(2)60-4/h13-16,25-28,37-40,45-52,59-60H,7-12,19-24,29-36H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t37-,38-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of AbuRPFK-5FAM from GST-tagged cIAP1 BIR3 domain (L250 to G350) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x
BindingDB Entry DOI: 10.7270/Q23T9M6C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50495451
(CHEMBL3108827)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r| Show InChI InChI=1S/C58H78N8O8/c1-37(59-3)53(67)61-49(39-21-9-7-10-22-39)57(71)65-31-19-29-45(65)55(69)63-51-43-27-15-13-25-41(43)35-47(51)73-33-17-5-6-18-34-74-48-36-42-26-14-16-28-44(42)52(48)64-56(70)46-30-20-32-66(46)58(72)50(40-23-11-8-12-24-40)62-54(68)38(2)60-4/h13-16,25-28,37-40,45-52,59-60H,7-12,19-24,29-36H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t37-,38-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of AbuRPFK-5FAM from GST-tagged XIAP BIR3 domain (N252 to E350) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x
BindingDB Entry DOI: 10.7270/Q23T9M6C |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50364500
(CHEMBL1950850)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CCCN(CCc2ccc(F)cc2)C1 |r| Show InChI InChI=1S/C25H39FN4O2/c1-18(27-2)24(31)29-23(20-7-4-3-5-8-20)25(32)28-22-9-6-15-30(17-22)16-14-19-10-12-21(26)13-11-19/h10-13,18,20,22-23,27H,3-9,14-17H2,1-2H3,(H,28,32)(H,29,31)/t18-,22-,23-/m0/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50495454
(CHEMBL3108923)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](CCc2ccccc12)OCC#C)C(C)(C)C |r| Show InChI InChI=1S/C28H40N4O4/c1-7-17-36-22-15-14-19-11-8-9-12-20(19)23(22)30-26(34)21-13-10-16-32(21)27(35)24(28(3,4)5)31-25(33)18(2)29-6/h1,8-9,11-12,18,21-24,29H,10,13-17H2,2-6H3,(H,30,34)(H,31,33)/t18-,21-,22+,23-,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of AbuRPFK-5FAM from GST-tagged XIAP BIR3 domain (N252 to E350) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x
BindingDB Entry DOI: 10.7270/Q23T9M6C |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50364499
(CHEMBL1950851)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(C)(C)C |r| Show InChI InChI=1S/C23H37FN4O2/c1-16(25-5)21(29)27-20(23(2,3)4)22(30)26-19-7-6-13-28(15-19)14-12-17-8-10-18(24)11-9-17/h8-11,16,19-20,25H,6-7,12-15H2,1-5H3,(H,26,30)(H,27,29)/t16-,19-,20+/m0/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
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
UniChem
Similars
| Article
PubMed
| 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 3
(Homo sapiens (Human)) | BDBM50495451
(CHEMBL3108827)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r| Show InChI InChI=1S/C58H78N8O8/c1-37(59-3)53(67)61-49(39-21-9-7-10-22-39)57(71)65-31-19-29-45(65)55(69)63-51-43-27-15-13-25-41(43)35-47(51)73-33-17-5-6-18-34-74-48-36-42-26-14-16-28-44(42)52(48)64-56(70)46-30-20-32-66(46)58(72)50(40-23-11-8-12-24-40)62-54(68)38(2)60-4/h13-16,25-28,37-40,45-52,59-60H,7-12,19-24,29-36H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t37-,38-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
MMDB
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PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of AbuRPFK-5FAM from GST-tagged cIAP2 BIR3 domain (I235 to A336) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x
BindingDB Entry DOI: 10.7270/Q23T9M6C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50495451
(CHEMBL3108827)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r| Show InChI InChI=1S/C58H78N8O8/c1-37(59-3)53(67)61-49(39-21-9-7-10-22-39)57(71)65-31-19-29-45(65)55(69)63-51-43-27-15-13-25-41(43)35-47(51)73-33-17-5-6-18-34-74-48-36-42-26-14-16-28-44(42)52(48)64-56(70)46-30-20-32-66(46)58(72)50(40-23-11-8-12-24-40)62-54(68)38(2)60-4/h13-16,25-28,37-40,45-52,59-60H,7-12,19-24,29-36H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t37-,38-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of AbuRPFK-5FAM from GST-tagged XIAP BIR2 domain (R214 to P260) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x
BindingDB Entry DOI: 10.7270/Q23T9M6C |
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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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)) | BDBM50364494
(CHEMBL1950856)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(Br)cc2)C1)C(C)(C)C |r| Show InChI InChI=1S/C23H37BrN4O2/c1-16(25-5)21(29)27-20(23(2,3)4)22(30)26-19-7-6-13-28(15-19)14-12-17-8-10-18(24)11-9-17/h8-11,16,19-20,25H,6-7,12-15H2,1-5H3,(H,26,30)(H,27,29)/t16-,19-,20+/m0/s1 | PDB
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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50364495
(CHEMBL1950855)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(C)(C)C |r| Show InChI InChI=1S/C23H37ClN4O2/c1-16(25-5)21(29)27-20(23(2,3)4)22(30)26-19-7-6-13-28(15-19)14-12-17-8-10-18(24)11-9-17/h8-11,16,19-20,25H,6-7,12-15H2,1-5H3,(H,26,30)(H,27,29)/t16-,19-,20+/m0/s1 | PDB
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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50364508
(CHEMBL1950842)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2)C1)C(C)(C)C |r| Show InChI InChI=1S/C23H38N4O2/c1-17(24-5)21(28)26-20(23(2,3)4)22(29)25-19-12-9-14-27(16-19)15-13-18-10-7-6-8-11-18/h6-8,10-11,17,19-20,24H,9,12-16H2,1-5H3,(H,25,29)(H,26,28)/t17-,19-,20+/m0/s1 | PDB
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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
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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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)) | BDBM50364493
(CHEMBL1950857)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(C)cc2)C1)C(C)(C)C |r| Show InChI InChI=1S/C24H40N4O2/c1-17-9-11-19(12-10-17)13-15-28-14-7-8-20(16-28)26-23(30)21(24(3,4)5)27-22(29)18(2)25-6/h9-12,18,20-21,25H,7-8,13-16H2,1-6H3,(H,26,30)(H,27,29)/t18-,20-,21+/m0/s1 | PDB
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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50364491
(CHEMBL1950859)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(cc2)[N+]([O-])=O)C1)C(C)(C)C |r| Show InChI InChI=1S/C23H37N5O4/c1-16(24-5)21(29)26-20(23(2,3)4)22(30)25-18-7-6-13-27(15-18)14-12-17-8-10-19(11-9-17)28(31)32/h8-11,16,18,20,24H,6-7,12-15H2,1-5H3,(H,25,30)(H,26,29)/t16-,18-,20+/m0/s1 | PDB
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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50364502
(CHEMBL1950848)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CCCN(CCc2ccccc2F)C1 |r| Show InChI InChI=1S/C25H39FN4O2/c1-18(27-2)24(31)29-23(20-10-4-3-5-11-20)25(32)28-21-12-8-15-30(17-21)16-14-19-9-6-7-13-22(19)26/h6-7,9,13,18,20-21,23,27H,3-5,8,10-12,14-17H2,1-2H3,(H,28,32)(H,29,31)/t18-,21-,23-/m0/s1 | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
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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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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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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| 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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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)) | BDBM50495446
(CHEMBL3108924)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1[C@H](CCc2ccccc12)OCC#C)C(C)(C)C |r| Show InChI InChI=1S/C28H40N4O4/c1-7-17-36-22-15-14-19-11-8-9-12-20(19)23(22)30-26(34)21-13-10-16-32(21)27(35)24(28(3,4)5)31-25(33)18(2)29-6/h1,8-9,11-12,18,21-24,29H,10,13-17H2,2-6H3,(H,30,34)(H,31,33)/t18-,21-,22-,23+,24+/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of AbuRPFK-5FAM from GST-tagged cIAP1 BIR3 domain (L250 to G350) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x
BindingDB Entry DOI: 10.7270/Q23T9M6C |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50364486
(CHEMBL1949685)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 |r| Show InChI InChI=1S/C25H40N4O2/c1-19(26-2)24(30)28-23(21-12-7-4-8-13-21)25(31)27-22-14-9-16-29(18-22)17-15-20-10-5-3-6-11-20/h3,5-6,10-11,19,21-23,26H,4,7-9,12-18H2,1-2H3,(H,27,31)(H,28,30)/t19-,22-,23-/m0/s1 | PDB
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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50364492
(CHEMBL1950858)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(O)cc2)C1)C(C)(C)C |r| Show InChI InChI=1S/C23H38N4O3/c1-16(24-5)21(29)26-20(23(2,3)4)22(30)25-18-7-6-13-27(15-18)14-12-17-8-10-19(28)11-9-17/h8-11,16,18,20,24,28H,6-7,12-15H2,1-5H3,(H,25,30)(H,26,29)/t16-,18-,20+/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 R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
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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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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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)) | BDBM50364507
(CHEMBL1950843)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N(C)[C@H]1CCCN(CCc2ccccc2)C1 |r| Show InChI InChI=1S/C26H42N4O2/c1-20(27-2)25(31)28-24(22-13-8-5-9-14-22)26(32)29(3)23-15-10-17-30(19-23)18-16-21-11-6-4-7-12-21/h4,6-7,11-12,20,22-24,27H,5,8-10,13-19H2,1-3H3,(H,28,31)/t20-,23-,24-/m0/s1 | PDB
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| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
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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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)) | BDBM50364490
(CHEMBL1950860)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(cc2)C(F)(F)F)C1)C(C)(C)C |r| Show InChI InChI=1S/C24H37F3N4O2/c1-16(28-5)21(32)30-20(23(2,3)4)22(33)29-19-7-6-13-31(15-19)14-12-17-8-10-18(11-9-17)24(25,26)27/h8-11,16,19-20,28H,6-7,12-15H2,1-5H3,(H,29,33)(H,30,32)/t16-,19-,20+/m0/s1 | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50364498
(CHEMBL1950852)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2OC)C1)C(C)(C)C |r| Show InChI InChI=1S/C24H40N4O3/c1-17(25-5)22(29)27-21(24(2,3)4)23(30)26-19-11-9-14-28(16-19)15-13-18-10-7-8-12-20(18)31-6/h7-8,10,12,17,19,21,25H,9,11,13-16H2,1-6H3,(H,26,30)(H,27,29)/t17-,19-,21+/m0/s1 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
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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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)) | BDBM50364497
(CHEMBL1950853)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(C)(C)C |r| Show InChI InChI=1S/C24H40N4O3/c1-17(25-5)22(29)27-21(24(2,3)4)23(30)26-19-10-8-13-28(16-19)14-12-18-9-7-11-20(15-18)31-6/h7,9,11,15,17,19,21,25H,8,10,12-14,16H2,1-6H3,(H,26,30)(H,27,29)/t17-,19-,21+/m0/s1 | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
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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| n/a | n/a | 55 | 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)) | BDBM50364506
(CHEMBL1950844)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1 |r| Show InChI InChI=1S/C31H44N4O2/c1-23(32-2)30(36)34-29(26-17-10-5-11-18-26)31(37)33-27-19-12-20-35(21-27)22-28(24-13-6-3-7-14-24)25-15-8-4-9-16-25/h3-4,6-9,13-16,23,26-29,32H,5,10-12,17-22H2,1-2H3,(H,33,37)(H,34,36)/t23-,27-,29-/m0/s1 | PDB
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| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
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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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)) | BDBM50364501
(CHEMBL1950849)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CCCN(CCc2cccc(F)c2)C1 |r| Show InChI InChI=1S/C25H39FN4O2/c1-18(27-2)24(31)29-23(20-9-4-3-5-10-20)25(32)28-22-12-7-14-30(17-22)15-13-19-8-6-11-21(26)16-19/h6,8,11,16,18,20,22-23,27H,3-5,7,9-10,12-15,17H2,1-2H3,(H,28,32)(H,29,31)/t18-,22-,23-/m0/s1 | PDB
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
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)) | BDBM50364509
(CHEMBL1950841)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CCCCN(CCc2ccccc2)C1 |r| Show InChI InChI=1S/C26H42N4O2/c1-20(27-2)25(31)29-24(22-13-7-4-8-14-22)26(32)28-23-15-9-10-17-30(19-23)18-16-21-11-5-3-6-12-21/h3,5-6,11-12,20,22-24,27H,4,7-10,13-19H2,1-2H3,(H,28,32)(H,29,31)/t20-,23-,24-/m0/s1 | PDB
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PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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)) | BDBM50364496
(CHEMBL1950854)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(OC)cc2)C1)C(C)(C)C |r| Show InChI InChI=1S/C24H40N4O3/c1-17(25-5)22(29)27-21(24(2,3)4)23(30)26-19-8-7-14-28(16-19)15-13-18-9-11-20(31-6)12-10-18/h9-12,17,19,21,25H,7-8,13-16H2,1-6H3,(H,26,30)(H,27,29)/t17-,19-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 1690-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50495447
(CHEMBL3108925)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H](CCc2ccccc12)OCC#C)C(C)(C)C |r| Show InChI InChI=1S/C28H40N4O4/c1-7-17-36-22-15-14-19-11-8-9-12-20(19)23(22)30-26(34)21-13-10-16-32(21)27(35)24(28(3,4)5)31-25(33)18(2)29-6/h1,8-9,11-12,18,21-24,29H,10,13-17H2,2-6H3,(H,30,34)(H,31,33)/t18-,21-,22-,23-,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of AbuRPFK-5FAM from GST-tagged XIAP BIR3 domain (N252 to E350) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x
BindingDB Entry DOI: 10.7270/Q23T9M6C |
More data for this
Ligand-Target Pair | |
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