Found 67 hits of ec50 data for polymerid = 2975,4022,6600 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)) | 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 | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495465
(CHEMBL3108817)Show SMILES [H][C@@]12C[C@]1([H])N([C@@H](C2)C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1C[C@]2([H])C[C@]2([H])N1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r| Show InChI InChI=1S/C60H78N8O8/c1-35(61-3)55(69)63-51(37-19-9-7-10-20-37)59(73)67-45-29-41(45)31-47(67)57(71)65-53-43-25-15-13-23-39(43)33-49(53)75-27-17-5-6-18-28-76-50-34-40-24-14-16-26-44(40)54(50)66-58(72)48-32-42-30-46(42)68(48)60(74)52(38-21-11-8-12-22-38)64-56(70)36(2)62-4/h13-16,23-26,35-38,41-42,45-54,61-62H,7-12,19-22,27-34H2,1-4H3,(H,63,69)(H,64,70)(H,65,71)(H,66,72)/t35-,36-,41-,42-,45-,46-,47-,48-,49+,50+,51-,52-,53-,54-/m0/s1 | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495462
(CHEMBL3108931)Show SMILES CN[C@@H](C)C(=O)N[C@H](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)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C54H74N8O8/c1-33(55-9)47(63)59-45(53(3,4)5)51(67)61-27-19-25-39(61)49(65)57-43-37-23-15-13-21-35(37)31-41(43)69-29-17-11-12-18-30-70-42-32-36-22-14-16-24-38(36)44(42)58-50(66)40-26-20-28-62(40)52(68)46(54(6,7)8)60-48(64)34(2)56-10/h13-16,21-24,33-34,39-46,55-56H,19-20,25-32H2,1-10H3,(H,57,65)(H,58,66)(H,59,63)(H,60,64)/t33-,34-,39-,40-,41+,42+,43-,44-,45+,46+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Ningxia Medical University
Curated by ChEMBL
| Assay Description
Induction of cIAP1 (unknown origin) degradation |
J Med Chem 62: 5750-5772 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01668
BindingDB Entry DOI: 10.7270/Q21R6TVX |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50495457
(CHEMBL3108819)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)OCCCCCCO[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/C58H86N8O8/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,5-12,17-24,29-36H2,1-4H3,(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
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495460
(CHEMBL3108920)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CSCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r| Show InChI InChI=1S/C56H74N8O8S2/c1-35(57-3)51(65)59-47(37-19-9-7-10-20-37)55(69)63-33-73-31-43(63)53(67)61-49-41-25-15-13-23-39(41)29-45(49)71-27-17-5-6-18-28-72-46-30-40-24-14-16-26-42(40)50(46)62-54(68)44-32-74-34-64(44)56(70)48(38-21-11-8-12-22-38)60-52(66)36(2)58-4/h13-16,23-26,35-38,43-50,57-58H,7-12,19-22,27-34H2,1-4H3,(H,59,65)(H,60,66)(H,61,67)(H,62,68)/t35-,36-,43-,44-,45+,46+,47-,48-,49-,50-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495458
(CHEMBL3108818)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 | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495464
(CHEMBL3108927)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#CC#CCO[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C56H78N8O8/c1-35(57-9)49(65)61-47(55(3,4)5)53(69)63-31-19-25-41(63)51(67)59-45-39-23-15-13-21-37(39)27-29-43(45)71-33-17-11-12-18-34-72-44-30-28-38-22-14-16-24-40(38)46(44)60-52(68)42-26-20-32-64(42)54(70)48(56(6,7)8)62-50(66)36(2)58-10/h13-16,21-24,35-36,41-48,57-58H,19-20,25-34H2,1-10H3,(H,59,67)(H,60,68)(H,61,65)(H,62,66)/t35-,36-,41-,42-,43+,44+,45-,46-,47+,48+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495463
(CHEMBL3108821)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(CC#CC#CCN2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)c3ccccc23)c2ccccc12 |r| Show InChI InChI=1S/C58H80N10O6/c1-39(59-3)53(69)63-51(41-21-9-7-10-22-41)57(73)67-35-19-29-49(67)55(71)61-45-31-37-65(47-27-15-13-25-43(45)47)33-17-5-6-18-34-66-38-32-46(44-26-14-16-28-48(44)66)62-56(72)50-30-20-36-68(50)58(74)52(42-23-11-8-12-24-42)64-54(70)40(2)60-4/h13-16,25-28,39-42,45-46,49-52,59-60H,7-12,19-24,29-38H2,1-4H3,(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t39-,40-,45+,46+,49-,50-,51-,52-/m0/s1 | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495443
(CHEMBL3108922)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC=C[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1C=CCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r,c:19,60| Show InChI InChI=1S/C58H74N8O8/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/h13-16,19-20,25-30,37-40,45-52,59-60H,7-12,21-24,31-36H2,1-4H3,(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 | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50239425
(CHEMBL4064619)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r| Show InChI InChI=1S/C29H40FN5O2/c1-20-15-34(25(14-31-20)16-33-9-10-37-18-21(33)2)17-27(36)35-19-29(3,4)28-26(35)12-23(13-32-28)11-22-5-7-24(30)8-6-22/h5-8,12-13,20-21,25,31H,9-11,14-19H2,1-4H3/t20-,21-,25-/m1/s1 | PDB
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| Article
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| n/a | n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrs |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50441356
(CHEMBL2431768)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrs |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50495462
(CHEMBL3108931)Show SMILES CN[C@@H](C)C(=O)N[C@H](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)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C54H74N8O8/c1-33(55-9)47(63)59-45(53(3,4)5)51(67)61-27-19-25-39(61)49(65)57-43-37-23-15-13-21-35(37)31-41(43)69-29-17-11-12-18-30-70-42-32-36-22-14-16-24-38(36)44(42)58-50(66)40-26-20-28-62(40)52(68)46(54(6,7)8)60-48(64)34(2)56-10/h13-16,21-24,33-34,39-46,55-56H,19-20,25-32H2,1-10H3,(H,57,65)(H,58,66)(H,59,63)(H,60,64)/t33-,34-,39-,40-,41+,42+,43-,44-,45+,46+/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495453
(CHEMBL3108919)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CSC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CSCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C52H70N8O8S2/c1-31(53-9)45(61)57-43(51(3,4)5)49(65)59-29-69-27-37(59)47(63)55-41-35-21-15-13-19-33(35)25-39(41)67-23-17-11-12-18-24-68-40-26-34-20-14-16-22-36(34)42(40)56-48(64)38-28-70-30-60(38)50(66)44(52(6,7)8)58-46(62)32(2)54-10/h13-16,19-22,31-32,37-44,53-54H,23-30H2,1-10H3,(H,55,63)(H,56,64)(H,57,61)(H,58,62)/t31-,32-,37-,38-,39+,40+,41-,42-,43+,44+/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495459
(CHEMBL3108921)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CSC2(CC2)[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1N(CSC11CC1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r| Show InChI InChI=1S/C60H78N8O8S2/c1-37(61-3)53(69)63-47(39-19-9-7-10-20-39)57(73)67-35-77-59(27-28-59)51(67)55(71)65-49-43-25-15-13-23-41(43)33-45(49)75-31-17-5-6-18-32-76-46-34-42-24-14-16-26-44(42)50(46)66-56(72)52-60(29-30-60)78-36-68(52)58(74)48(40-21-11-8-12-22-40)64-54(70)38(2)62-4/h13-16,23-26,37-40,45-52,61-62H,7-12,19-22,27-36H2,1-4H3,(H,63,69)(H,64,70)(H,65,71)(H,66,72)/t37-,38-,45+,46+,47-,48-,49-,50-,51+,52+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495456
(CHEMBL3108820)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)OCCOCCO[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/C56H82N8O9/c1-35(57-3)51(65)59-47(37-17-7-5-8-18-37)55(69)63-27-15-25-43(63)53(67)61-49-41-23-13-11-21-39(41)33-45(49)72-31-29-71-30-32-73-46-34-40-22-12-14-24-42(40)50(46)62-54(68)44-26-16-28-64(44)56(70)48(38-19-9-6-10-20-38)60-52(66)36(2)58-4/h11-14,21-24,35-38,43-50,57-58H,5-10,15-20,25-34H2,1-4H3,(H,59,65)(H,60,66)(H,61,67)(H,62,68)/t35-,36-,43-,44-,45+,46+,47-,48-,49-,50-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495466
(CHEMBL3108929)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#CC#CCO[C@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C56H78N8O8/c1-35(57-9)49(65)61-47(55(3,4)5)53(69)63-31-19-25-41(63)51(67)59-45-39-23-15-13-21-37(39)27-29-43(45)71-33-17-11-12-18-34-72-44-30-28-38-22-14-16-24-40(38)46(44)60-52(68)42-26-20-32-64(42)54(70)48(56(6,7)8)62-50(66)36(2)58-10/h13-16,21-24,35-36,41-48,57-58H,19-20,25-34H2,1-10H3,(H,59,67)(H,60,68)(H,61,65)(H,62,66)/t35-,36-,41-,42-,43-,44-,45-,46-,47+,48+/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495442
(CHEMBL3108930)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#CC#CCO[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C56H78N8O8/c1-35(57-9)49(65)61-47(55(3,4)5)53(69)63-31-19-25-41(63)51(67)59-45-39-23-15-13-21-37(39)27-29-43(45)71-33-17-11-12-18-34-72-44-30-28-38-22-14-16-24-40(38)46(44)60-52(68)42-26-20-32-64(42)54(70)48(56(6,7)8)62-50(66)36(2)58-10/h13-16,21-24,35-36,41-48,57-58H,19-20,25-34H2,1-10H3,(H,59,67)(H,60,68)(H,61,65)(H,62,66)/t35-,36-,41-,42-,43+,44+,45+,46+,47+,48+/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495445
(CHEMBL3108826)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)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)C(C)C |r| Show InChI InChI=1S/C52H70N8O8/c1-31(2)43(55-47(61)33(5)53-7)51(65)59-25-17-23-39(59)49(63)57-45-37-21-13-11-19-35(37)29-41(45)67-27-15-9-10-16-28-68-42-30-36-20-12-14-22-38(36)46(42)58-50(64)40-24-18-26-60(40)52(66)44(32(3)4)56-48(62)34(6)54-8/h11-14,19-22,31-34,39-46,53-54H,17-18,23-30H2,1-8H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)/t33-,34-,39-,40-,41+,42+,43-,44-,45-,46-/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50239421
(CHEMBL4092217)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCCC2=O)CN1 |r| Show InChI InChI=1S/C28H36FN5O2/c1-19-15-33(23(14-30-19)16-32-10-4-5-25(32)35)17-26(36)34-18-28(2,3)27-24(34)12-21(13-31-27)11-20-6-8-22(29)9-7-20/h6-9,12-13,19,23,30H,4-5,10-11,14-18H2,1-3H3/t19-,23-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrs |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM156189
(US9018214, 240)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@@H]2C)CN1 |r| Show InChI InChI=1S/C29H40FN5O2/c1-20-15-34(25(14-31-20)16-33-9-10-37-18-21(33)2)17-27(36)35-19-29(3,4)28-26(35)12-23(13-32-28)11-22-5-7-24(30)8-6-22/h5-8,12-13,20-21,25,31H,9-11,14-19H2,1-4H3/t20-,21+,25-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrs |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM156148
(US9018214, 199)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4F)cc23)[C@@H](CN2CCCC2=O)CN1 |r| Show InChI InChI=1S/C28H35F2N5O2/c1-18-14-34(22(13-31-18)15-33-8-4-5-25(33)36)16-26(37)35-17-28(2,3)27-24(35)10-19(12-32-27)9-20-6-7-21(29)11-23(20)30/h6-7,10-12,18,22,31H,4-5,8-9,13-17H2,1-3H3/t18-,22-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrs |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM156183
(US9018214, 234)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOCC2)CN1 |r| Show InChI InChI=1S/C28H38FN5O2/c1-20-16-33(24(15-30-20)17-32-8-10-36-11-9-32)18-26(35)34-19-28(2,3)27-25(34)13-22(14-31-27)12-21-4-6-23(29)7-5-21/h4-7,13-14,20,24,30H,8-12,15-19H2,1-3H3/t20-,24-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrs |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50495448
(CHEMBL3108825)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)NC(=O)CCCCCCCCC(=O)N[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/C62H92N10O8/c1-39(63-3)57(75)67-53(41-23-11-9-12-24-41)61(79)71-35-21-31-49(71)59(77)69-55-45-29-19-17-27-43(45)37-47(55)65-51(73)33-15-7-5-6-8-16-34-52(74)66-48-38-44-28-18-20-30-46(44)56(48)70-60(78)50-32-22-36-72(50)62(80)54(42-25-13-10-14-26-42)68-58(76)40(2)64-4/h17-20,27-30,39-42,47-50,53-56,63-64H,5-16,21-26,31-38H2,1-4H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,53-,54-,55-,56-/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | 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
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| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495455
(CHEMBL3108928)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#CC#CCO[C@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C56H78N8O8/c1-35(57-9)49(65)61-47(55(3,4)5)53(69)63-31-19-25-41(63)51(67)59-45-39-23-15-13-21-37(39)27-29-43(45)71-33-17-11-12-18-34-72-44-30-28-38-22-14-16-24-40(38)46(44)60-52(68)42-26-20-32-64(42)54(70)48(56(6,7)8)62-50(66)36(2)58-10/h13-16,21-24,35-36,41-48,57-58H,19-20,25-34H2,1-10H3,(H,59,67)(H,60,68)(H,61,65)(H,62,66)/t35-,36-,41-,42-,43-,44-,45+,46+,47+,48+/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495452
(CHEMBL3108822)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC1(Cc2ccccc2C1)C(=O)NCC#CC#CCNC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r| Show InChI InChI=1S/C60H80N10O8/c1-39(61-3)51(71)65-49(41-21-9-7-10-22-41)55(75)69-33-19-29-47(69)53(73)67-59(35-43-25-13-14-26-44(43)36-59)57(77)63-31-17-5-6-18-32-64-58(78)60(37-45-27-15-16-28-46(45)38-60)68-54(74)48-30-20-34-70(48)56(76)50(42-23-11-8-12-24-42)66-52(72)40(2)62-4/h13-16,25-28,39-42,47-50,61-62H,7-12,19-24,29-38H2,1-4H3,(H,63,77)(H,64,78)(H,65,71)(H,66,72)(H,67,73)(H,68,74)/t39-,40-,47-,48-,49-,50-/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | 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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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at cIAP1 in human MDA-MB-231 cells assessed as cIAP1 degradation after 1 hr by ELISA |
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)) | BDBM156129
(US9018214, 180)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[C@@H](CN2CCCC2=O)CN1 |r| Show InChI InChI=1S/C28H37N5O2/c1-20-16-32(23(15-29-20)17-31-11-7-10-25(31)34)18-26(35)33-19-28(2,3)27-24(33)13-22(14-30-27)12-21-8-5-4-6-9-21/h4-6,8-9,13-14,20,23,29H,7,10-12,15-19H2,1-3H3/t20-,23-/m1/s1 | PDB
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Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrs |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
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
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50495449
(CHEMBL3108824)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)NC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N[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/C66H84N10O8/c1-39(67-3)59(77)71-55(43-17-7-5-8-18-43)65(83)75-35-15-25-53(75)63(81)73-57-49-23-13-11-21-47(49)37-51(57)69-61(79)45-31-27-41(28-32-45)42-29-33-46(34-30-42)62(80)70-52-38-48-22-12-14-24-50(48)58(52)74-64(82)54-26-16-36-76(54)66(84)56(44-19-9-6-10-20-44)72-60(78)40(2)68-4/h11-14,21-24,27-34,39-40,43-44,51-58,67-68H,5-10,15-20,25-26,35-38H2,1-4H3,(H,69,79)(H,70,80)(H,71,77)(H,72,78)(H,73,81)(H,74,82)/t39-,40-,51+,52+,53-,54-,55-,56-,57-,58-/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | BDBM50239423
(CHEMBL4081831)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)C(F)(F)c2ccccc2)[C@@H](CN2CCCC2=O)CN1 |r| Show InChI InChI=1S/C28H35F2N5O2/c1-19-15-34(22(14-31-19)16-33-11-7-10-24(33)36)17-25(37)35-18-27(2,3)26-23(35)12-21(13-32-26)28(29,30)20-8-5-4-6-9-20/h4-6,8-9,12-13,19,22,31H,7,10-11,14-18H2,1-3H3/t19-,22-/m1/s1 | PDB
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Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrs |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50239424
(CHEMBL4090609)Show SMILES CCCC(F)(F)c1cnc2c(c1)N(CC2(C)C)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O |r| Show InChI InChI=1S/C25H37F2N5O2/c1-5-8-25(26,27)18-10-20-23(29-11-18)24(3,4)16-32(20)22(34)15-31-13-17(2)28-12-19(31)14-30-9-6-7-21(30)33/h10-11,17,19,28H,5-9,12-16H2,1-4H3/t17-,19-/m1/s1 | PDB
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Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrs |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50078360
(CHEMBL3414728)Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C80H96N16O14/c1-45(81-9)69(97)87-67(79(3,4)5)75(103)93-41-57-37-65(93)73(101)83-61(35-49-19-25-51-15-11-13-17-53(51)31-49)71(99)85-63(77(105)106)33-47-23-29-60(30-24-47)110-44-56-40-96(92-90-56)58-38-66(94(42-58)76(104)68(80(6,7)8)88-70(98)46(2)82-10)74(102)84-62(36-50-20-26-52-16-12-14-18-54(52)32-50)72(100)86-64(78(107)108)34-48-21-27-59(28-22-48)109-43-55-39-95(57)91-89-55/h11-32,39-40,45-46,57-58,61-68,81-82H,33-38,41-44H2,1-10H3,(H,83,101)(H,84,102)(H,85,99)(H,86,100)(H,87,97)(H,88,98)(H,105,106)(H,107,108)/t45-,46-,57-,58-,61-,62-,63-,64-,65-,66-,67+,68+/m0/s1 | PDB
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Ensemble Therapeutics Corp
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR2-3 (124 to 356 residues) C202A/C213G mutant (unknown origin) in human THP1 cells using fluoresceinated caspase-3 substrate by ... |
J Med Chem 58: 2855-61 (2015)
Article DOI: 10.1021/jm501892g
BindingDB Entry DOI: 10.7270/Q2RF5WQ0 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50078356
(CHEMBL3414725)Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1cccc3ccccc13)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C78H92N16O14/c1-43(2)67(85-69(95)45(5)79-7)75(101)91-39-55-35-65(91)73(99)81-61(33-51-19-13-17-49-15-9-11-21-59(49)51)71(97)83-63(77(103)104)31-47-25-29-58(30-26-47)108-42-54-38-94(90-88-54)56-36-66(92(40-56)76(102)68(44(3)4)86-70(96)46(6)80-8)74(100)82-62(34-52-20-14-18-50-16-10-12-22-60(50)52)72(98)84-64(78(105)106)32-48-23-27-57(28-24-48)107-41-53-37-93(55)89-87-53/h9-30,37-38,43-46,55-56,61-68,79-80H,31-36,39-42H2,1-8H3,(H,81,99)(H,82,100)(H,83,97)(H,84,98)(H,85,95)(H,86,96)(H,103,104)(H,105,106)/t45-,46-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | PDB
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Ensemble Therapeutics Corp
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR2-3 (124 to 356 residues) C202A/C213G mutant (unknown origin) in human THP1 cells using fluoresceinated caspase-3 substrate by ... |
J Med Chem 58: 2855-61 (2015)
Article DOI: 10.1021/jm501892g
BindingDB Entry DOI: 10.7270/Q2RF5WQ0 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50078357
(CHEMBL3414724)Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C70H88N16O14/c1-39(2)59(77-61(87)41(5)71-7)67(93)83-35-49-31-57(83)65(91)73-53(27-43-15-11-9-12-16-43)63(89)75-55(69(95)96)29-45-21-25-52(26-22-45)100-38-48-34-86(82-80-48)50-32-58(84(36-50)68(94)60(40(3)4)78-62(88)42(6)72-8)66(92)74-54(28-44-17-13-10-14-18-44)64(90)76-56(70(97)98)30-46-19-23-51(24-20-46)99-37-47-33-85(49)81-79-47/h9-26,33-34,39-42,49-50,53-60,71-72H,27-32,35-38H2,1-8H3,(H,73,91)(H,74,92)(H,75,89)(H,76,90)(H,77,87)(H,78,88)(H,95,96)(H,97,98)/t41-,42-,49-,50-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
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Ensemble Therapeutics Corp
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR2-3 (124 to 356 residues) C202A/C213G mutant (unknown origin) in human THP1 cells using fluoresceinated caspase-3 substrate by ... |
J Med Chem 58: 2855-61 (2015)
Article DOI: 10.1021/jm501892g
BindingDB Entry DOI: 10.7270/Q2RF5WQ0 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50078359
(CHEMBL3414729)Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1cn(nn1)[C@]1([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1cn2nn1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C64H80N16O12/c1-33(2)53(71-55(81)35(5)65-7)61(87)77-31-45-27-51(77)59(85)67-47(23-37-17-19-39-13-9-11-15-41(39)21-37)57(83)69-50(64(91)92)26-44-30-80(76-74-44)46-28-52(78(32-46)62(88)54(34(3)4)72-56(82)36(6)66-8)60(86)68-48(24-38-18-20-40-14-10-12-16-42(40)22-38)58(84)70-49(63(89)90)25-43-29-79(45)75-73-43/h9-22,29-30,33-36,45-54,65-66H,23-28,31-32H2,1-8H3,(H,67,85)(H,68,86)(H,69,83)(H,70,84)(H,71,81)(H,72,82)(H,89,90)(H,91,92)/t35-,36-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
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Ensemble Therapeutics Corp
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR2-3 (124 to 356 residues) C202A/C213G mutant (unknown origin) in human THP1 cells using fluoresceinated caspase-3 substrate by ... |
J Med Chem 58: 2855-61 (2015)
Article DOI: 10.1021/jm501892g
BindingDB Entry DOI: 10.7270/Q2RF5WQ0 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50078354
(CHEMBL3414727)Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C84H100N16O14/c1-49(85-3)75(101)91-73(57-17-7-5-8-18-57)81(107)97-45-63-41-71(97)79(105)87-67(39-53-23-29-55-15-11-13-21-59(55)35-53)77(103)89-69(83(109)110)37-51-27-33-66(34-28-51)114-48-62-44-100(96-94-62)64-42-72(98(46-64)82(108)74(58-19-9-6-10-20-58)92-76(102)50(2)86-4)80(106)88-68(40-54-24-30-56-16-12-14-22-60(56)36-54)78(104)90-70(84(111)112)38-52-25-31-65(32-26-52)113-47-61-43-99(63)95-93-61/h11-16,21-36,43-44,49-50,57-58,63-64,67-74,85-86H,5-10,17-20,37-42,45-48H2,1-4H3,(H,87,105)(H,88,106)(H,89,103)(H,90,104)(H,91,101)(H,92,102)(H,109,110)(H,111,112)/t49-,50-,63-,64-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 | PDB
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Ensemble Therapeutics Corp
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR2-3 (124 to 356 residues) C202A/C213G mutant (unknown origin) in human THP1 cells using fluoresceinated caspase-3 substrate by ... |
J Med Chem 58: 2855-61 (2015)
Article DOI: 10.1021/jm501892g
BindingDB Entry DOI: 10.7270/Q2RF5WQ0 |
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
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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at cIAP1 in human MDA-MB-231 cells assessed as cIAP1 degradation after 1 hr by ELISA |
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)) | BDBM50078355
(CHEMBL3414726)Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C78H92N16O14/c1-43(2)67(85-69(95)45(5)79-7)75(101)91-39-57-35-65(91)73(99)81-61(33-49-17-23-51-13-9-11-15-53(51)29-49)71(97)83-63(77(103)104)31-47-21-27-60(28-22-47)108-42-56-38-94(90-88-56)58-36-66(92(40-58)76(102)68(44(3)4)86-70(96)46(6)80-8)74(100)82-62(34-50-18-24-52-14-10-12-16-54(52)30-50)72(98)84-64(78(105)106)32-48-19-25-59(26-20-48)107-41-55-37-93(57)89-87-55/h9-30,37-38,43-46,57-58,61-68,79-80H,31-36,39-42H2,1-8H3,(H,81,99)(H,82,100)(H,83,97)(H,84,98)(H,85,95)(H,86,96)(H,103,104)(H,105,106)/t45-,46-,57-,58-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | PDB
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Ensemble Therapeutics Corp
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR2-3 (124 to 356 residues) C202A/C213G mutant (unknown origin) in human THP1 cells using fluoresceinated caspase-3 substrate by ... |
J Med Chem 58: 2855-61 (2015)
Article DOI: 10.1021/jm501892g
BindingDB Entry DOI: 10.7270/Q2RF5WQ0 |
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 cIAP1 in human MDA-MB-231 cells assessed as cIAP1 degradation after 1 hr by ELISA |
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)) | 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 cIAP1 in human MDA-MB-231 cells assessed as cIAP1 degradation after 1 hr by ELISA |
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)) | 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
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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at cIAP1 in human MDA-MB-231 cells assessed as cIAP1 degradation after 1 hr by ELISA |
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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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at cIAP1 in human MDA-MB-231 cells assessed as cIAP1 degradation after 1 hr by ELISA |
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)) | BDBM50078358
(CHEMBL3414723)Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NC(=O)CCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(NC(=O)CCc4cn2nn4)cc3)C(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C74H94N18O14/c1-41(2)63(83-65(95)43(5)75-7)71(101)89-39-53-35-59(89)69(99)79-55(31-45-15-11-9-12-16-45)67(97)81-57(73(103)104)33-47-19-23-50(24-20-47)78-62(94)30-28-52-38-92(88-86-52)54-36-60(90(40-54)72(102)64(42(3)4)84-66(96)44(6)76-8)70(100)80-56(32-46-17-13-10-14-18-46)68(98)82-58(74(105)106)34-48-21-25-49(26-22-48)77-61(93)29-27-51-37-91(53)87-85-51/h9-26,37-38,41-44,53-60,63-64,75-76H,27-36,39-40H2,1-8H3,(H,77,93)(H,78,94)(H,79,99)(H,80,100)(H,81,97)(H,82,98)(H,83,95)(H,84,96)(H,103,104)(H,105,106)/t43-,44-,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-/m0/s1 | PDB
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Ensemble Therapeutics Corp
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR2-3 (124 to 356 residues) C202A/C213G mutant (unknown origin) in human THP1 cells using fluoresceinated caspase-3 substrate by ... |
J Med Chem 58: 2855-61 (2015)
Article DOI: 10.1021/jm501892g
BindingDB Entry DOI: 10.7270/Q2RF5WQ0 |
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 cIAP1 in human MDA-MB-231 cells assessed as cIAP1 degradation after 1 hr by ELISA |
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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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Antagonist activity at cIAP1 in human MDA-MB-231 cells assessed as cIAP1 degradation after 1 hr by ELISA |
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)) | 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 cIAP1 in human MDA-MB-231 cells assessed as cIAP1 degradation after 1 hr by ELISA |
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 cIAP1 in human MDA-MB-231 cells assessed as cIAP1 degradation after 1 hr by ELISA |
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)) | BDBM50495440
(CHEMBL3108823)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)NC(=O)c1ccc(cc1)C(=O)N[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/C60H80N10O8/c1-35(61-3)53(71)65-49(37-17-7-5-8-18-37)59(77)69-31-15-25-47(69)57(75)67-51-43-23-13-11-21-41(43)33-45(51)63-55(73)39-27-29-40(30-28-39)56(74)64-46-34-42-22-12-14-24-44(42)52(46)68-58(76)48-26-16-32-70(48)60(78)50(38-19-9-6-10-20-38)66-54(72)36(2)62-4/h11-14,21-24,27-30,35-38,45-52,61-62H,5-10,15-20,25-26,31-34H2,1-4H3,(H,63,73)(H,64,74)(H,65,71)(H,66,72)(H,67,75)(H,68,76)/t35-,36-,45+,46+,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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)) | 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
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA |
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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