Found 25 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50030270
(CHEMBL3339219 | US9783573, Example 23)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1cnc(NC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)o1)C(C)(C)C |r| Show InChI InChI=1S/C60H79N11O9/c1-33(61-9)50(72)67-48(59(3,4)5)56(78)70-31-39-27-38(26-25-37(39)28-45(70)53(75)65-43-23-15-19-35-17-11-13-21-41(35)43)52(74)69-58-63-30-47(80-58)55(77)64-40-29-46(54(76)66-44-24-16-20-36-18-12-14-22-42(36)44)71(32-40)57(79)49(60(6,7)8)68-51(73)34(2)62-10/h11-14,17-18,21-22,25-27,30,33-34,40,43-46,48-49,61-62H,15-16,19-20,23-24,28-29,31-32H2,1-10H3,(H,64,77)(H,65,75)(H,66,76)(H,67,72)(H,68,73)(H,63,69,74)/t33-,34-,40-,43+,44+,45-,46-,48+,49+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarizat... |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030261
(CHEMBL3339228)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)NCCCN(CCCN(CCCCN(CCCNC(N)=N)C(N)=N)C(N)=N)C(N)=N)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C81H121N23O9S/c1-49(90-8)68(106)98-66(80(3,4)5)74(112)104-47-58(45-64(104)73(111)97-62-28-17-24-52-22-11-13-26-60(52)62)95-71(109)54-31-29-53(30-32-54)70(108)94-57-34-33-55-44-63(72(110)96-61-27-16-23-51-21-10-12-25-59(51)61)103(46-56(55)43-57)75(113)67(99-69(107)50(2)91-9)81(6,7)114-48-65(105)92-35-18-39-102(79(88)89)42-20-41-101(78(86)87)38-15-14-37-100(77(84)85)40-19-36-93-76(82)83/h10-13,21-22,25-26,29-34,43,49-50,58,61-64,66-67,90-91H,14-20,23-24,27-28,35-42,44-48H2,1-9H3,(H3,84,85)(H3,86,87)(H3,88,89)(H,92,105)(H,94,108)(H,95,109)(H,96,110)(H,97,111)(H,98,106)(H,99,107)(H4,82,83,93)/t49-,50-,58-,61+,62+,63-,64-,66+,67+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50030266
(CHEMBL3339223 | US9603889, Example 8)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@@H](COC)c2ccccc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C62H83N9O8/c1-38(63-9)54(72)67-52(61(3,4)5)59(77)70-35-45-24-16-15-23-44(45)32-50(70)58(76)69(51(37-79-11)42-21-13-12-14-22-42)34-40-28-30-43(31-29-40)56(74)65-46-33-49(57(75)66-48-27-19-25-41-20-17-18-26-47(41)48)71(36-46)60(78)53(62(6,7)8)68-55(73)39(2)64-10/h12-18,20-24,26,28-31,38-39,46,48-53,63-64H,19,25,27,32-37H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t38-,39-,46-,48+,49-,50-,51-,52+,53+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarizat... |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50030268
(CHEMBL3339221 | US9603889, Example 1)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](C)c2ccccc2F)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H80FN9O7/c1-36(63-10)53(72)67-51(60(4,5)6)58(77)70-34-43-21-13-12-20-42(43)31-50(70)57(76)69(38(3)45-23-16-17-25-47(45)62)33-39-27-29-41(30-28-39)55(74)65-44-32-49(56(75)66-48-26-18-22-40-19-14-15-24-46(40)48)71(35-44)59(78)52(61(7,8)9)68-54(73)37(2)64-11/h12-17,19-21,23-25,27-30,36-38,44,48-52,63-64H,18,22,26,31-35H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t36-,37-,38+,44-,48+,49-,50-,51+,52+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarizat... |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030265
(CHEMBL3339224)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](COC)c2ccccc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C62H83N9O8/c1-38(63-9)54(72)67-52(61(3,4)5)59(77)70-35-45-24-16-15-23-44(45)32-50(70)58(76)69(51(37-79-11)42-21-13-12-14-22-42)34-40-28-30-43(31-29-40)56(74)65-46-33-49(57(75)66-48-27-19-25-41-20-17-18-26-47(41)48)71(36-46)60(78)53(62(6,7)8)68-55(73)39(2)64-10/h12-18,20-24,26,28-31,38-39,46,48-53,63-64H,19,25,27,32-37H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t38-,39-,46-,48+,49-,50-,51+,52+,53+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50030265
(CHEMBL3339224)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](COC)c2ccccc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C62H83N9O8/c1-38(63-9)54(72)67-52(61(3,4)5)59(77)70-35-45-24-16-15-23-44(45)32-50(70)58(76)69(51(37-79-11)42-21-13-12-14-22-42)34-40-28-30-43(31-29-40)56(74)65-46-33-49(57(75)66-48-27-19-25-41-20-17-18-26-47(41)48)71(36-46)60(78)53(62(6,7)8)68-55(73)39(2)64-10/h12-18,20-24,26,28-31,38-39,46,48-53,63-64H,19,25,27,32-37H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t38-,39-,46-,48+,49-,50-,51+,52+,53+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarizat... |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030262
(CHEMBL3339227)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)NCCCN(CCCNCCCCNCCCN)C(N)=N)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C78H115N17O9S/c1-49(82-8)68(97)91-66(77(3,4)5)74(103)95-47-58(45-64(95)73(102)90-62-28-17-24-52-22-11-13-26-60(52)62)88-71(100)54-31-29-53(30-32-54)70(99)87-57-34-33-55-44-63(72(101)89-61-27-16-23-51-21-10-12-25-59(51)61)94(46-56(55)43-57)75(104)67(92-69(98)50(2)83-9)78(6,7)105-48-65(96)86-40-20-42-93(76(80)81)41-19-39-85-37-15-14-36-84-38-18-35-79/h10-13,21-22,25-26,29-34,43,49-50,58,61-64,66-67,82-85H,14-20,23-24,27-28,35-42,44-48,79H2,1-9H3,(H3,80,81)(H,86,96)(H,87,99)(H,88,100)(H,89,101)(H,90,102)(H,91,97)(H,92,98)/t49-,50-,58-,61+,62+,63-,64-,66+,67+/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 | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030263
(CHEMBL3339226)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)NCCCNCCCNCCCCNCCCN)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C77H113N15O9S/c1-49(79-8)68(94)89-66(76(3,4)5)74(100)92-47-58(45-64(92)73(99)88-62-28-17-24-52-22-11-13-26-60(52)62)86-71(97)54-31-29-53(30-32-54)70(96)85-57-34-33-55-44-63(72(98)87-61-27-16-23-51-21-10-12-25-59(51)61)91(46-56(55)43-57)75(101)67(90-69(95)50(2)80-9)77(6,7)102-48-65(93)84-42-20-41-83-40-19-39-82-37-15-14-36-81-38-18-35-78/h10-13,21-22,25-26,29-34,43,49-50,58,61-64,66-67,79-83H,14-20,23-24,27-28,35-42,44-48,78H2,1-9H3,(H,84,93)(H,85,96)(H,86,97)(H,87,98)(H,88,99)(H,89,94)(H,90,95)/t49-,50-,58-,61+,62+,63-,64-,66+,67+/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030266
(CHEMBL3339223 | US9603889, Example 8)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@@H](COC)c2ccccc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C62H83N9O8/c1-38(63-9)54(72)67-52(61(3,4)5)59(77)70-35-45-24-16-15-23-44(45)32-50(70)58(76)69(51(37-79-11)42-21-13-12-14-22-42)34-40-28-30-43(31-29-40)56(74)65-46-33-49(57(75)66-48-27-19-25-41-20-17-18-26-47(41)48)71(36-46)60(78)53(62(6,7)8)68-55(73)39(2)64-10/h12-18,20-24,26,28-31,38-39,46,48-53,63-64H,19,25,27,32-37H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t38-,39-,46-,48+,49-,50-,51-,52+,53+/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030270
(CHEMBL3339219 | US9783573, Example 23)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1cnc(NC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)o1)C(C)(C)C |r| Show InChI InChI=1S/C60H79N11O9/c1-33(61-9)50(72)67-48(59(3,4)5)56(78)70-31-39-27-38(26-25-37(39)28-45(70)53(75)65-43-23-15-19-35-17-11-13-21-41(35)43)52(74)69-58-63-30-47(80-58)55(77)64-40-29-46(54(76)66-44-24-16-20-36-18-12-14-22-42(36)44)71(32-40)57(79)49(60(6,7)8)68-51(73)34(2)62-10/h11-14,17-18,21-22,25-27,30,33-34,40,43-46,48-49,61-62H,15-16,19-20,23-24,28-29,31-32H2,1-10H3,(H,64,77)(H,65,75)(H,66,76)(H,67,72)(H,68,73)(H,63,69,74)/t33-,34-,40-,43+,44+,45-,46-,48+,49+/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50030272
(CHEMBL3339218)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc2sc(NC(=O)c3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]3CCCc4ccccc34)nc2c1)C(C)(C)C |r| Show InChI InChI=1S/C64H81N11O8S/c1-35(65-9)54(76)71-52(63(3,4)5)60(82)74-33-42-29-40(26-25-39(42)31-49(74)58(80)68-46-23-15-19-37-17-11-13-21-44(37)46)57(79)73-62-70-48-30-41(27-28-51(48)84-62)56(78)67-43-32-50(59(81)69-47-24-16-20-38-18-12-14-22-45(38)47)75(34-43)61(83)53(64(6,7)8)72-55(77)36(2)66-10/h11-14,17-18,21-22,25-30,35-36,43,46-47,49-50,52-53,65-66H,15-16,19-20,23-24,31-34H2,1-10H3,(H,67,78)(H,68,80)(H,69,81)(H,71,76)(H,72,77)(H,70,73,79)/t35-,36-,43-,46+,47+,49-,50-,52+,53+/m0/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarizat... |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50030280
(CHEMBL3339214 | US9783573, Example 10)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8/c1-36(64-9)54(74)70-52(62(3,4)5)60(80)72-34-43-31-44(30-29-42(43)32-50(72)58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)66-56(76)40-25-27-41(28-26-40)57(77)67-45-33-51(59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)73(35-45)61(81)53(63(6,7)8)71-55(75)37(2)65-10/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45-,48+,49+,50-,51-,52+,53+/m0/s1 | PDB
KEGG
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarizat... |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030280
(CHEMBL3339214 | US9783573, Example 10)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8/c1-36(64-9)54(74)70-52(62(3,4)5)60(80)72-34-43-31-44(30-29-42(43)32-50(72)58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)66-56(76)40-25-27-41(28-26-40)57(77)67-45-33-51(59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)73(35-45)61(81)53(63(6,7)8)71-55(75)37(2)65-10/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45-,48+,49+,50-,51-,52+,53+/m0/s1 | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030264
(CHEMBL3339225)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)NCCCNCCCCNCCCN)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C74H106N14O9S/c1-46(76-8)65(90)85-63(73(3,4)5)71(96)88-44-55(42-61(88)70(95)84-59-27-17-23-49-21-11-13-25-57(49)59)82-68(93)51-30-28-50(29-31-51)67(92)81-54-33-32-52-41-60(69(94)83-58-26-16-22-48-20-10-12-24-56(48)58)87(43-53(52)40-54)72(97)64(86-66(91)47(2)77-9)74(6,7)98-45-62(89)80-39-19-38-79-36-15-14-35-78-37-18-34-75/h10-13,20-21,24-25,28-33,40,46-47,55,58-61,63-64,76-79H,14-19,22-23,26-27,34-39,41-45,75H2,1-9H3,(H,80,89)(H,81,92)(H,82,93)(H,83,94)(H,84,95)(H,85,90)(H,86,91)/t46-,47-,55-,58+,59+,60-,61-,63+,64+/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50030269
(CHEMBL3339220)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H]2CCCc3ccccc23)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C63H83N9O7/c1-38(64-9)55(73)68-53(62(3,4)5)60(78)71-36-45-22-12-11-21-44(45)33-52(71)59(77)70(50-28-18-24-42-20-14-16-26-48(42)50)35-40-29-31-43(32-30-40)57(75)66-46-34-51(58(76)67-49-27-17-23-41-19-13-15-25-47(41)49)72(37-46)61(79)54(63(6,7)8)69-56(74)39(2)65-10/h11-16,19-22,25-26,29-32,38-39,46,49-54,64-65H,17-18,23-24,27-28,33-37H2,1-10H3,(H,66,75)(H,67,76)(H,68,73)(H,69,74)/t38-,39-,46-,49+,50-,51-,52-,53+,54+/m0/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarizat... |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50030273
(CHEMBL3339217 | US9783573, Example 45)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CCc2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(C)(C)C |r| Show InChI InChI=1S/C64H85N9O7/c1-38(65-9)56(74)70-54(63(3,4)5)61(79)72-36-46-33-41(29-32-45(46)34-52(72)59(77)68-50-23-15-19-42-17-11-13-21-48(42)50)26-25-40-27-30-44(31-28-40)58(76)67-47-35-53(60(78)69-51-24-16-20-43-18-12-14-22-49(43)51)73(37-47)62(80)55(64(6,7)8)71-57(75)39(2)66-10/h11-14,17-18,21-22,27-33,38-39,47,50-55,65-66H,15-16,19-20,23-26,34-37H2,1-10H3,(H,67,76)(H,68,77)(H,69,78)(H,70,74)(H,71,75)/t38-,39-,47-,50+,51+,52-,53-,54+,55+/m0/s1 | PDB
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
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| Article
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarizat... |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030268
(CHEMBL3339221 | US9603889, Example 1)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](C)c2ccccc2F)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H80FN9O7/c1-36(63-10)53(72)67-51(60(4,5)6)58(77)70-34-43-21-13-12-20-42(43)31-50(70)57(76)69(38(3)45-23-16-17-25-47(45)62)33-39-27-29-41(30-28-39)55(74)65-44-32-49(56(75)66-48-26-18-22-40-19-14-15-24-46(40)48)71(35-44)59(78)52(61(7,8)9)68-54(73)37(2)64-11/h12-17,19-21,23-25,27-30,36-38,44,48-52,63-64H,18,22,26,31-35H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t36-,37-,38+,44-,48+,49-,50-,51+,52+/m0/s1 | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030272
(CHEMBL3339218)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc2sc(NC(=O)c3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]3CCCc4ccccc34)nc2c1)C(C)(C)C |r| Show InChI InChI=1S/C64H81N11O8S/c1-35(65-9)54(76)71-52(63(3,4)5)60(82)74-33-42-29-40(26-25-39(42)31-49(74)58(80)68-46-23-15-19-37-17-11-13-21-44(37)46)57(79)73-62-70-48-30-41(27-28-51(48)84-62)56(78)67-43-32-50(59(81)69-47-24-16-20-38-18-12-14-22-45(38)47)75(34-43)61(83)53(64(6,7)8)72-55(77)36(2)66-10/h11-14,17-18,21-22,25-30,35-36,43,46-47,49-50,52-53,65-66H,15-16,19-20,23-24,31-34H2,1-10H3,(H,67,78)(H,68,80)(H,69,81)(H,71,76)(H,72,77)(H,70,73,79)/t35-,36-,43-,46+,47+,49-,50-,52+,53+/m0/s1 | PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030273
(CHEMBL3339217 | US9783573, Example 45)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CCc2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(C)(C)C |r| Show InChI InChI=1S/C64H85N9O7/c1-38(65-9)56(74)70-54(63(3,4)5)61(79)72-36-46-33-41(29-32-45(46)34-52(72)59(77)68-50-23-15-19-42-17-11-13-21-48(42)50)26-25-40-27-30-44(31-28-40)58(76)67-47-35-53(60(78)69-51-24-16-20-43-18-12-14-22-49(43)51)73(37-47)62(80)55(64(6,7)8)71-57(75)39(2)66-10/h11-14,17-18,21-22,27-33,38-39,47,50-55,65-66H,15-16,19-20,23-26,34-37H2,1-10H3,(H,67,76)(H,68,77)(H,69,78)(H,70,74)(H,71,75)/t38-,39-,47-,50+,51+,52-,53-,54+,55+/m0/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030278
(CHEMBL3339215 | US9783573, Example 38)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(C)(C)C |r| Show InChI InChI=1S/C63H83N9O8/c1-37(64-9)55(73)69-53(62(3,4)5)60(78)71-34-44-31-46(30-29-43(44)32-51(71)58(76)67-49-23-15-19-40-17-11-13-21-47(40)49)80-36-39-25-27-42(28-26-39)57(75)66-45-33-52(59(77)68-50-24-16-20-41-18-12-14-22-48(41)50)72(35-45)61(79)54(63(6,7)8)70-56(74)38(2)65-10/h11-14,17-18,21-22,25-31,37-38,45,49-54,64-65H,15-16,19-20,23-24,32-36H2,1-10H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t37-,38-,45-,49+,50+,51-,52-,53+,54+/m0/s1 | PDB
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UniChem
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| Article
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030269
(CHEMBL3339220)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H]2CCCc3ccccc23)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C63H83N9O7/c1-38(64-9)55(73)68-53(62(3,4)5)60(78)71-36-45-22-12-11-21-44(45)33-52(71)59(77)70(50-28-18-24-42-20-14-16-26-48(42)50)35-40-29-31-43(32-30-40)57(75)66-46-34-51(58(76)67-49-27-17-23-41-19-13-15-25-47(41)49)72(37-46)61(79)54(63(6,7)8)69-56(74)39(2)65-10/h11-16,19-22,25-26,29-32,38-39,46,49-54,64-65H,17-18,23-24,27-28,33-37H2,1-10H3,(H,66,75)(H,67,76)(H,68,73)(H,69,74)/t38-,39-,46-,49+,50-,51-,52-,53+,54+/m0/s1 | PDB
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PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030267
(CHEMBL3339222)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@@H](C)c2cccc(F)c2F)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H79F2N9O7/c1-35(64-10)53(73)68-51(60(4,5)6)58(78)71-33-42-20-13-12-19-41(42)30-49(71)57(77)70(37(3)44-23-17-24-46(62)50(44)63)32-38-26-28-40(29-27-38)55(75)66-43-31-48(56(76)67-47-25-16-21-39-18-14-15-22-45(39)47)72(34-43)59(79)52(61(7,8)9)69-54(74)36(2)65-11/h12-15,17-20,22-24,26-29,35-37,43,47-49,51-52,64-65H,16,21,25,30-34H2,1-11H3,(H,66,75)(H,67,76)(H,68,73)(H,69,74)/t35-,36-,37-,43-,47+,48-,49-,51+,52+/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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50030278
(CHEMBL3339215 | US9783573, Example 38)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(C)(C)C |r| Show InChI InChI=1S/C63H83N9O8/c1-37(64-9)55(73)69-53(62(3,4)5)60(78)71-34-44-31-46(30-29-43(44)32-51(71)58(76)67-49-23-15-19-40-17-11-13-21-47(40)49)80-36-39-25-27-42(28-26-39)57(75)66-45-33-52(59(77)68-50-24-16-20-41-18-12-14-22-48(41)50)72(35-45)61(79)54(63(6,7)8)70-56(74)38(2)65-10/h11-14,17-18,21-22,25-31,37-38,45,49-54,64-65H,15-16,19-20,23-24,32-36H2,1-10H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t37-,38-,45-,49+,50+,51-,52-,53+,54+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarizat... |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50030275
(CHEMBL3339216 | US9783573, Example 44)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C#Cc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C64H81N9O7/c1-38(65-9)56(74)70-54(63(3,4)5)61(79)72-36-46-33-41(29-32-45(46)34-52(72)59(77)68-50-23-15-19-42-17-11-13-21-48(42)50)26-25-40-27-30-44(31-28-40)58(76)67-47-35-53(60(78)69-51-24-16-20-43-18-12-14-22-49(43)51)73(37-47)62(80)55(64(6,7)8)71-57(75)39(2)66-10/h11-14,17-18,21-22,27-33,38-39,47,50-55,65-66H,15-16,19-20,23-24,34-37H2,1-10H3,(H,67,76)(H,68,77)(H,69,78)(H,70,74)(H,71,75)/t38-,39-,47-,50+,51+,52-,53-,54+,55+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarizat... |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50030275
(CHEMBL3339216 | US9783573, Example 44)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C#Cc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C64H81N9O7/c1-38(65-9)56(74)70-54(63(3,4)5)61(79)72-36-46-33-41(29-32-45(46)34-52(72)59(77)68-50-23-15-19-42-17-11-13-21-48(42)50)26-25-40-27-30-44(31-28-40)58(76)67-47-35-53(60(78)69-51-24-16-20-43-18-12-14-22-49(43)51)73(37-47)62(80)55(64(6,7)8)71-57(75)39(2)66-10/h11-14,17-18,21-22,27-33,38-39,47,50-55,65-66H,15-16,19-20,23-24,34-37H2,1-10H3,(H,67,76)(H,68,77)(H,69,78)(H,70,74)(H,71,75)/t38-,39-,47-,50+,51+,52-,53-,54+,55+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 5022-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8 |
More data for this
Ligand-Target Pair | |
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