BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 766 hits of ic50 for UniProtKB: Q13490   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
XIAP-BIR2


(Homo sapiens (Human))
BDBM312982
PNG
(US9605022, Example 15)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@H](C(=O)OC)c3ccc(OCc4cn2nn4)cc3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C#N)C(C)(C)C
Show InChI InChI=1S/C80H95N17O12/c1-46(82-9)70(98)88-68(79(3,4)5)76(104)94-34-32-63-66(94)74(102)85-61(39-49-20-24-51-16-12-14-18-54(51)36-49)72(100)84-56(41-81)38-48-22-28-59(29-23-48)108-44-57-42-96(92-90-57)64-33-35-95(77(105)69(80(6,7)8)89-71(99)47(2)83-10)67(64)75(103)86-62(40-50-21-25-52-17-13-15-19-55(52)37-50)73(101)87-65(78(106)107-11)53-26-30-60(31-27-53)109-45-58-43-97(63)93-91-58/h12-31,36-37,42-43,46-47,56,61-69,82-83H,32-35,38-40,44-45H2,1-11H3,(H,84,100)(H,85,102)(H,86,103)(H,87,101)(H,88,98)(H,89,99)/t46-,47-,56-,61-,62-,63+,64+,65-,66?,67-,68+,69+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312990
PNG
(US9605022, Example 19)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=O)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C81H96N18O14/c1-45(82-9)70(100)88-67(80(3,4)5)76(106)96-33-31-63-65(96)74(104)85-60(39-49-19-25-51-15-11-13-17-53(51)35-49)72(102)84-59(69-90-79(110)113-93-69)37-47-21-27-57(28-22-47)111-43-55-41-99(95-91-55)64-32-34-97(77(107)68(81(6,7)8)89-71(101)46(2)83-10)66(64)75(105)86-61(40-50-20-26-52-16-12-14-18-54(52)36-50)73(103)87-62(78(108)109)38-48-23-29-58(30-24-48)112-44-56-42-98(63)94-92-56/h11-30,35-36,41-42,45-46,59-68,82-83H,31-34,37-40,43-44H2,1-10H3,(H,84,102)(H,85,104)(H,86,105)(H,87,103)(H,88,100)(H,89,101)(H,108,109)(H,90,93,110)/t45-,46-,59-,60-,61-,62+,63+,64+,65-,66-,67+,68+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312988
PNG
(US9605022, Example 17)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=S)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C81H96N18O13S/c1-45(82-9)70(100)88-67(80(3,4)5)76(106)96-33-31-63-65(96)74(104)85-60(39-49-19-25-51-15-11-13-17-53(51)35-49)72(102)84-59(69-90-79(113)112-93-69)37-47-21-27-57(28-22-47)110-43-55-41-99(95-91-55)64-32-34-97(77(107)68(81(6,7)8)89-71(101)46(2)83-10)66(64)75(105)86-61(40-50-20-26-52-16-12-14-18-54(52)36-50)73(103)87-62(78(108)109)38-48-23-29-58(30-24-48)111-44-56-42-98(63)94-92-56/h11-30,35-36,41-42,45-46,59-68,82-83H,31-34,37-40,43-44H2,1-10H3,(H,84,102)(H,85,104)(H,86,105)(H,87,103)(H,88,100)(H,89,101)(H,108,109)(H,90,93,113)/t45-,46-,59-,60-,61-,62+,63+,64+,65-,66-,67+,68+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312968
PNG
(US9605022, Example 3)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(CCC[C@@H](NC(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@@H]4[C@@H](CCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc4cn(CCC[C@@H](NC(=O)[C@H](Cc5ccc6ccccc6c5)NC(=O)[C@@H]12)C(O)=O)nn4)C(O)=O)nn3)C(C)(C)C
Show InChI InChI=1S/C72H96N16O14/c1-41(73-9)61(89)79-59(71(3,4)5)67(95)87-31-27-55-57(87)65(93)77-53(35-43-23-25-45-17-11-13-19-47(45)33-43)63(91)75-51(69(97)98)21-15-30-86-38-50(82-84-86)40-102-56-28-32-88(68(96)60(72(6,7)8)80-62(90)42(2)74-10)58(56)66(94)78-54(36-44-24-26-46-18-12-14-20-48(46)34-44)64(92)76-52(70(99)100)22-16-29-85-37-49(39-101-55)81-83-85/h11-14,17-20,23-26,33-34,37-38,41-42,51-60,73-74H,15-16,21-22,27-32,35-36,39-40H2,1-10H3,(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,79,89)(H,80,90)(H,97,98)(H,99,100)/t41-,42-,51+,52+,53-,54-,55+,56+,57-,58-,59+,60+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50401475
PNG
(CHEMBL2205248)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCNC(=O)CCC#CC#CCCC(=O)NCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N12)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C62H86N12O12/c1-5-45(63-3)55(79)71-53-41(37-75)25-27-43-29-31-47(73(43)61(53)85)57(81)69-51(39-19-13-11-14-20-39)59(83)67-35-33-65-49(77)23-17-9-7-8-10-18-24-50(78)66-34-36-68-60(84)52(40-21-15-12-16-22-40)70-58(82)48-32-30-44-28-26-42(38-76)54(62(86)74(44)48)72-56(80)46(6-2)64-4/h11-16,19-22,41-48,51-54,63-64,75-76H,5-6,17-18,23-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,83)(H,68,84)(H,69,81)(H,70,82)(H,71,79)(H,72,80)/t41-,42-,43+,44+,45+,46+,47+,48+,51+,52+,53+,54+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Fondazione IRCCS Istituto Nazionale dei Tumori

Curated by ChEMBL


Assay Description
Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay


Bioorg Med Chem 20: 6709-23 (2012)


Article DOI: 10.1016/j.bmc.2012.09.041
BindingDB Entry DOI: 10.7270/Q2P84D2Z
More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312966
PNG
(US9605022, Example 1)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C80H96N16O14/c1-45(81-9)69(97)87-67(79(3,4)5)75(103)93-33-31-63-65(93)73(101)83-59(39-49-19-25-51-15-11-13-17-53(51)35-49)71(99)85-61(77(105)106)37-47-23-29-58(30-24-47)110-44-56-42-96(92-90-56)64-32-34-94(76(104)68(80(6,7)8)88-70(98)46(2)82-10)66(64)74(102)84-60(40-50-20-26-52-16-12-14-18-54(52)36-50)72(100)86-62(78(107)108)38-48-21-27-57(28-22-48)109-43-55-41-95(63)91-89-55/h11-30,35-36,41-42,45-46,59-68,81-82H,31-34,37-40,43-44H2,1-10H3,(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-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312973
PNG
(US9605022, Example 8)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCc2cc(F)c(O)c(F)c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C89H103F2N17O15/c1-49(92-9)78(111)99-76(88(3,4)5)85(118)105-33-31-70-73(105)83(116)96-68(42-54-20-26-57-16-12-14-18-59(57)36-54)82(115)97-69(87(120)121)41-52-23-29-64(30-24-52)123-48-62-46-108(104-102-62)71-32-34-106(86(119)77(89(6,7)8)100-79(112)50(2)93-10)74(71)84(117)98-72(109)43-60(37-53-19-25-56-15-11-13-17-58(56)35-53)80(113)95-67(81(114)94-44-55-38-65(90)75(110)66(91)39-55)40-51-21-27-63(28-22-51)122-47-61-45-107(70)103-101-61/h11-30,35-36,38-39,45-46,49-50,60,67-71,73-74,76-77,92-93,110H,31-34,37,40-44,47-48H2,1-10H3,(H,94,114)(H,95,113)(H,96,116)(H,97,115)(H,99,111)(H,100,112)(H,120,121)(H,98,109,117)/t49-,50-,60+,67-,68-,69-,70+,71+,73-,74-,76+,77+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312981
PNG
(US9605022, Example 14)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)c1n[nH]c(=O)o1)C(C)(C)C
Show InChI InChI=1S/C83H98N18O15/c1-46(84-9)71(103)90-69(82(3,4)5)78(109)98-33-31-64-67(98)75(107)86-61(40-51-20-26-53-16-12-14-18-55(53)36-51)74(106)87-62(77-94-95-81(113)116-77)38-48-21-27-59(28-22-48)114-45-58-43-101(97-93-58)65-32-34-99(79(110)70(83(6,7)8)91-72(104)47(2)85-10)68(65)76(108)89-66(102)41-56(37-50-19-25-52-15-11-13-17-54(52)35-50)73(105)88-63(80(111)112)39-49-23-29-60(30-24-49)115-44-57-42-100(64)96-92-57/h11-30,35-36,42-43,46-47,56,61-65,67-70,84-85H,31-34,37-41,44-45H2,1-10H3,(H,86,107)(H,87,106)(H,88,105)(H,90,103)(H,91,104)(H,95,113)(H,111,112)(H,89,102,108)/t46-,47-,56+,61-,62-,63-,64+,65+,67-,68-,69+,70+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312977
PNG
(US9605022, Example 11)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NS(=O)(=O)C2CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C83H101N17O15S/c1-47(84-9)72(101)90-70(82(3,4)5)79(108)97-35-33-66-68(97)77(106)87-62(41-51-19-25-53-15-11-13-17-55(53)37-51)74(103)86-64(76(105)94-116(112,113)61-31-32-61)39-49-21-27-59(28-22-49)114-45-57-43-100(96-92-57)67-34-36-98(80(109)71(83(6,7)8)91-73(102)48(2)85-10)69(67)78(107)88-63(42-52-20-26-54-16-12-14-18-56(54)38-52)75(104)89-65(81(110)111)40-50-23-29-60(30-24-50)115-46-58-44-99(66)95-93-58/h11-30,37-38,43-44,47-48,61-71,84-85H,31-36,39-42,45-46H2,1-10H3,(H,86,103)(H,87,106)(H,88,107)(H,89,104)(H,90,101)(H,91,102)(H,94,105)(H,110,111)/t47-,48-,62-,63-,64-,65-,66+,67+,68-,69-,70+,71+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312979
PNG
(US9605022, Example 13)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCC[C@@H](O)C[C@@H](O)CC(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C89H111N17O18/c1-50(90-9)78(112)97-76(88(3,4)5)85(119)103-35-32-70-74(103)83(117)94-68(42-55-20-26-57-16-12-14-18-59(57)38-55)82(116)95-69(87(121)122)41-53-23-29-66(30-24-53)124-49-62-47-106(102-100-62)71-33-36-104(86(120)77(89(6,7)8)98-79(113)51(2)91-10)75(71)84(118)96-72(109)43-60(39-54-19-25-56-15-11-13-17-58(56)37-54)80(114)93-67(81(115)92-34-31-63(107)44-64(108)45-73(110)111)40-52-21-27-65(28-22-52)123-48-61-46-105(70)101-99-61/h11-30,37-38,46-47,50-51,60,63-64,67-71,74-77,90-91,107-108H,31-36,39-45,48-49H2,1-10H3,(H,92,115)(H,93,114)(H,94,117)(H,95,116)(H,97,112)(H,98,113)(H,110,111)(H,121,122)(H,96,109,118)/t50-,51-,60+,63+,64+,67-,68-,69-,70+,71+,74-,75-,76+,77+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50401484
PNG
(CHEMBL2204575)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCCCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C68H92N10O8/c1-5-53(69-3)63(81)75-61-49(35-37-51-39-41-55(77(51)67(61)85)65(83)73-59(45-25-15-11-16-26-45)46-27-17-12-18-28-46)43-71-57(79)33-23-9-7-8-10-24-34-58(80)72-44-50-36-38-52-40-42-56(78(52)68(86)62(50)76-64(82)54(6-2)70-4)66(84)74-60(47-29-19-13-20-30-47)48-31-21-14-22-32-48/h11-22,25-32,49-56,59-62,69-70H,5-10,23-24,33-44H2,1-4H3,(H,71,79)(H,72,80)(H,73,83)(H,74,84)(H,75,81)(H,76,82)/t49-,50-,51+,52+,53+,54+,55+,56+,61+,62+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Fondazione IRCCS Istituto Nazionale dei Tumori

Curated by ChEMBL


Assay Description
Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay


Bioorg Med Chem 20: 6709-23 (2012)


Article DOI: 10.1016/j.bmc.2012.09.041
BindingDB Entry DOI: 10.7270/Q2P84D2Z
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50401483
PNG
(CHEMBL2204574)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCC#CC#CCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C70H88N10O8/c1-5-55(71-3)65(83)77-63-51(37-39-53-41-43-57(79(53)69(63)87)67(85)75-61(47-27-17-13-18-28-47)48-29-19-14-20-30-48)45-73-59(81)35-25-11-9-7-8-10-12-26-36-60(82)74-46-52-38-40-54-42-44-58(80(54)70(88)64(52)78-66(84)56(6-2)72-4)68(86)76-62(49-31-21-15-22-32-49)50-33-23-16-24-34-50/h13-24,27-34,51-58,61-64,71-72H,5-6,11-12,25-26,35-46H2,1-4H3,(H,73,81)(H,74,82)(H,75,85)(H,76,86)(H,77,83)(H,78,84)/t51-,52-,53+,54+,55+,56+,57+,58+,63+,64+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Fondazione IRCCS Istituto Nazionale dei Tumori

Curated by ChEMBL


Assay Description
Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay


Bioorg Med Chem 20: 6709-23 (2012)


Article DOI: 10.1016/j.bmc.2012.09.041
BindingDB Entry DOI: 10.7270/Q2P84D2Z
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50401493
PNG
(CHEMBL2205246)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N12)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C58H88N10O13/c1-5-43(59-3)51(71)65-49-39(35-69)19-21-41-23-25-45(67(41)57(49)77)53(73)63-47(37-15-9-7-10-16-37)55(75)61-27-13-29-79-31-33-81-34-32-80-30-14-28-62-56(76)48(38-17-11-8-12-18-38)64-54(74)46-26-24-42-22-20-40(36-70)50(58(78)68(42)46)66-52(72)44(6-2)60-4/h7-12,15-18,39-50,59-60,69-70H,5-6,13-14,19-36H2,1-4H3,(H,61,75)(H,62,76)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Fondazione IRCCS Istituto Nazionale dei Tumori

Curated by ChEMBL


Assay Description
Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay


Bioorg Med Chem 20: 6709-23 (2012)


Article DOI: 10.1016/j.bmc.2012.09.041
BindingDB Entry DOI: 10.7270/Q2P84D2Z
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50401477
PNG
(CHEMBL2204567)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)nn1)c1ccccc1
Show InChI InChI=1S/C67H95N13O12/c1-5-52(68-3)61(83)74-59-47(22-25-50-27-29-54(79(50)66(59)88)63(85)72-57(44-16-10-7-11-17-44)45-18-12-8-13-19-45)32-33-70-56(82)31-24-49-42-78(77-76-49)35-37-91-39-41-92-40-38-90-36-34-71-65(87)58(46-20-14-9-15-21-46)73-64(86)55-30-28-51-26-23-48(43-81)60(67(89)80(51)55)75-62(84)53(6-2)69-4/h7-21,42,47-48,50-55,57-60,68-69,81H,5-6,22-41,43H2,1-4H3,(H,70,82)(H,71,87)(H,72,85)(H,73,86)(H,74,83)(H,75,84)/t47-,48-,50+,51+,52+,53+,54+,55+,58+,59+,60+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Fondazione IRCCS Istituto Nazionale dei Tumori

Curated by ChEMBL


Assay Description
Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay


Bioorg Med Chem 20: 6709-23 (2012)


Article DOI: 10.1016/j.bmc.2012.09.041
BindingDB Entry DOI: 10.7270/Q2P84D2Z
More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312969
PNG
(US9605022, Example 4)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)[C@@H](CCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)[C@@H](CCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]12)C(O)=O)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C70H92N16O14/c1-39(71-9)59(87)77-57(69(3,4)5)65(93)83-29-25-53-55(83)63(91)75-49(33-41-19-21-43-15-11-13-17-45(43)31-41)61(89)73-27-23-52(68(97)98)86-36-48(80-82-86)38-100-54-26-30-84(66(94)58(70(6,7)8)78-60(88)40(2)72-10)56(54)64(92)76-50(34-42-20-22-44-16-12-14-18-46(44)32-42)62(90)74-28-24-51(67(95)96)85-35-47(37-99-53)79-81-85/h11-22,31-32,35-36,39-40,49-58,71-72H,23-30,33-34,37-38H2,1-10H3,(H,73,89)(H,74,90)(H,75,91)(H,76,92)(H,77,87)(H,78,88)(H,95,96)(H,97,98)/t39-,40-,49-,50-,51-,52-,53+,54+,55-,56-,57+,58+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50401485
PNG
(CHEMBL2204576)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)COCCOCCOCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C66H88N10O11/c1-5-51(67-3)61(79)73-59-47(27-29-49-31-33-53(75(49)65(59)83)63(81)71-57(43-19-11-7-12-20-43)44-21-13-8-14-22-44)39-69-55(77)41-86-37-35-85-36-38-87-42-56(78)70-40-48-28-30-50-32-34-54(76(50)66(84)60(48)74-62(80)52(6-2)68-4)64(82)72-58(45-23-15-9-16-24-45)46-25-17-10-18-26-46/h7-26,47-54,57-60,67-68H,5-6,27-42H2,1-4H3,(H,69,77)(H,70,78)(H,71,81)(H,72,82)(H,73,79)(H,74,80)/t47-,48-,49+,50+,51+,52+,53+,54+,59+,60+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Fondazione IRCCS Istituto Nazionale dei Tumori

Curated by ChEMBL


Assay Description
Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay


Bioorg Med Chem 20: 6709-23 (2012)


Article DOI: 10.1016/j.bmc.2012.09.041
BindingDB Entry DOI: 10.7270/Q2P84D2Z
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50401481
PNG
(CHEMBL2204572)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)c2cn(C[C@H]3CC[C@H]4CC[C@H](N4C(=O)[C@H]3NC(=O)[C@H](CC)NC)C(=O)NC(c3ccccc3)c3ccccc3)nn2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C61H76N12O7/c1-5-46(62-3)56(75)67-53-42(27-29-44-31-33-49(72(44)60(53)79)58(77)65-51(38-19-11-7-12-20-38)39-21-13-8-14-22-39)35-64-55(74)48-37-71(70-69-48)36-43-28-30-45-32-34-50(73(45)61(80)54(43)68-57(76)47(6-2)63-4)59(78)66-52(40-23-15-9-16-24-40)41-25-17-10-18-26-41/h7-26,37,42-47,49-54,62-63H,5-6,27-36H2,1-4H3,(H,64,74)(H,65,77)(H,66,78)(H,67,75)(H,68,76)/t42-,43-,44+,45+,46+,47+,49+,50+,53+,54+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Fondazione IRCCS Istituto Nazionale dei Tumori

Curated by ChEMBL


Assay Description
Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay


Bioorg Med Chem 20: 6709-23 (2012)


Article DOI: 10.1016/j.bmc.2012.09.041
BindingDB Entry DOI: 10.7270/Q2P84D2Z
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50401492
PNG
(CHEMBL2204582)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCCCCCCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N12)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C56H84N10O10/c1-5-41(57-3)49(69)63-47-37(33-67)23-25-39-27-29-43(65(39)55(47)75)51(71)61-45(35-19-13-11-14-20-35)53(73)59-31-17-9-7-8-10-18-32-60-54(74)46(36-21-15-12-16-22-36)62-52(72)44-30-28-40-26-24-38(34-68)48(56(76)66(40)44)64-50(70)42(6-2)58-4/h11-16,19-22,37-48,57-58,67-68H,5-10,17-18,23-34H2,1-4H3,(H,59,73)(H,60,74)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Fondazione IRCCS Istituto Nazionale dei Tumori

Curated by ChEMBL


Assay Description
Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay


Bioorg Med Chem 20: 6709-23 (2012)


Article DOI: 10.1016/j.bmc.2012.09.041
BindingDB Entry DOI: 10.7270/Q2P84D2Z
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365839
PNG
(CHEMBL1957014)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cccc(C)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H49N5O3/c1-4-32(39-3)36(44)42-35-30(22-23-40-25-27-13-11-12-26(2)24-27)18-19-31-20-21-33(43(31)38(35)46)37(45)41-34(28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-17,24,30-35,39-40H,4,18-23,25H2,1-3H3,(H,41,45)(H,42,44)/t30-,31+,32+,33+,35+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365837
PNG
(CHEMBL1957016)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2Cl)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46ClN5O3/c1-3-31(39-2)35(44)42-34-27(22-23-40-24-28-16-10-11-17-30(28)38)18-19-29-20-21-32(43(29)37(34)46)36(45)41-33(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-17,27,29,31-34,39-40H,3,18-24H2,1-2H3,(H,41,45)(H,42,44)/t27-,29+,31+,32+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365846
PNG
(CHEMBL1957026)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(OC)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H49N5O4/c1-4-32(39-2)36(44)42-35-29(23-24-40-25-26-15-20-31(47-3)21-16-26)17-18-30-19-22-33(43(30)38(35)46)37(45)41-34(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-16,20-21,29-30,32-35,39-40H,4,17-19,22-25H2,1-3H3,(H,41,45)(H,42,44)/t29-,30+,32+,33+,35+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365836
PNG
(CHEMBL1957017)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cccc(Cl)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46ClN5O3/c1-3-31(39-2)35(44)42-34-28(21-22-40-24-25-11-10-16-29(38)23-25)17-18-30-19-20-32(43(30)37(34)46)36(45)41-33(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-16,23,28,30-34,39-40H,3,17-22,24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365851
PNG
(CHEMBL1957019)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2F)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46FN5O3/c1-3-31(39-2)35(44)42-34-27(22-23-40-24-28-16-10-11-17-30(28)38)18-19-29-20-21-32(43(29)37(34)46)36(45)41-33(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-17,27,29,31-34,39-40H,3,18-24H2,1-2H3,(H,41,45)(H,42,44)/t27-,29+,31+,32+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365841
PNG
(CHEMBL575256)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H47N5O3/c1-3-31(38-2)35(43)41-34-29(23-24-39-25-26-13-7-4-8-14-26)19-20-30-21-22-32(42(30)37(34)45)36(44)40-33(27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-18,29-34,38-39H,3,19-25H2,1-2H3,(H,40,44)(H,41,43)/t29-,30+,31+,32+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365848
PNG
(CHEMBL1957023)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cc(F)cc(F)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H45F2N5O3/c1-3-31(40-2)35(45)43-34-27(18-19-41-23-24-20-28(38)22-29(39)21-24)14-15-30-16-17-32(44(30)37(34)47)36(46)42-33(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,20-22,27,30-34,40-41H,3,14-19,23H2,1-2H3,(H,42,46)(H,43,45)/t27-,30+,31+,32+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365840
PNG
(CHEMBL1957013)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2C)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H49N5O3/c1-4-32(39-3)36(44)42-35-29(23-24-40-25-30-18-12-11-13-26(30)2)19-20-31-21-22-33(43(31)38(35)46)37(45)41-34(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h5-18,29,31-35,39-40H,4,19-25H2,1-3H3,(H,41,45)(H,42,44)/t29-,31+,32+,33+,35+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50030270
PNG
(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
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
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/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))
BDBM50365847
PNG
(CHEMBL1957024)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)C(F)(F)F)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H46F3N5O3/c1-3-31(42-2)35(47)45-34-28(22-23-43-24-25-14-17-29(18-15-25)38(39,40)41)16-19-30-20-21-32(46(30)37(34)49)36(48)44-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,42-43H,3,16,19-24H2,1-2H3,(H,44,48)(H,45,47)/t28-,30+,31+,32+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365838
PNG
(CHEMBL1957015)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(C)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H49N5O3/c1-4-32(39-3)36(44)42-35-30(23-24-40-25-27-17-15-26(2)16-18-27)19-20-31-21-22-33(43(31)38(35)46)37(45)41-34(28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-18,30-35,39-40H,4,19-25H2,1-3H3,(H,41,45)(H,42,44)/t30-,31+,32+,33+,35+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365850
PNG
(CHEMBL1957020)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cccc(F)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46FN5O3/c1-3-31(39-2)35(44)42-34-28(21-22-40-24-25-11-10-16-29(38)23-25)17-18-30-19-20-32(43(30)37(34)46)36(45)41-33(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-16,23,28,30-34,39-40H,3,17-22,24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365843
PNG
(CHEMBL1957107)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(N)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H48N6O3/c1-3-31(39-2)35(44)42-34-28(22-23-40-24-25-14-17-29(38)18-15-25)16-19-30-20-21-32(43(30)37(34)46)36(45)41-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,39-40H,3,16,19-24,38H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365849
PNG
(CHEMBL1957021)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(F)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46FN5O3/c1-3-31(39-2)35(44)42-34-28(22-23-40-24-25-14-17-29(38)18-15-25)16-19-30-20-21-32(43(30)37(34)46)36(45)41-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,39-40H,3,16,19-24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365844
PNG
(CHEMBL1957106)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)C(=O)OC)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H49N5O5/c1-4-32(40-2)36(45)43-35-29(23-24-41-25-26-15-17-30(18-16-26)39(48)49-3)19-20-31-21-22-33(44(31)38(35)47)37(46)42-34(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-18,29,31-35,40-41H,4,19-25H2,1-3H3,(H,42,46)(H,43,45)/t29-,31+,32+,33+,35+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365835
PNG
(CHEMBL1957018)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(Cl)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46ClN5O3/c1-3-31(39-2)35(44)42-34-28(22-23-40-24-25-14-17-29(38)18-15-25)16-19-30-20-21-32(43(30)37(34)46)36(45)41-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,39-40H,3,16,19-24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365845
PNG
(CHEMBL1957105)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)[N+]([O-])=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46N6O5/c1-3-31(38-2)35(44)41-34-28(22-23-39-24-25-14-17-30(18-15-25)43(47)48)16-19-29-20-21-32(42(29)37(34)46)36(45)40-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28-29,31-34,38-39H,3,16,19-24H2,1-2H3,(H,40,45)(H,41,44)/t28-,29+,31+,32+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312987
PNG
(US9605022, Example 16)
Show SMILES COC(=O)[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n2cc(COc3ccc(C[C@H](NC(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@@H]4[C@@H](CCN4C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n4cc(COc5ccc1cc5)nn4)C#N)cc3)nn2
Show InChI InChI=1S/C90H111N17O16/c1-52(102(15)85(117)122-89(9,10)11)76(108)96-74(87(3,4)5)82(114)104-40-38-69-72(104)80(112)93-67(45-55-26-30-57-22-18-20-24-60(57)42-55)78(110)92-62(47-91)44-54-28-34-65(35-29-54)120-50-63-48-106(100-98-63)70-39-41-105(83(115)75(88(6,7)8)97-77(109)53(2)103(16)86(118)123-90(12,13)14)73(70)81(113)94-68(46-56-27-31-58-23-19-21-25-61(58)43-56)79(111)95-71(84(116)119-17)59-32-36-66(37-33-59)121-51-64-49-107(69)101-99-64/h18-37,42-43,48-49,52-53,62,67-75H,38-41,44-46,50-51H2,1-17H3,(H,92,110)(H,93,112)(H,94,113)(H,95,111)(H,96,108)(H,97,109)/t52-,53-,62-,67-,68-,69+,70+,71-,72?,73-,74+,75+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312989
PNG
(US9605022, Example 18)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=S)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C81H96N18O13S/c1-45(82-9)70(100)88-67(80(3,4)5)76(106)96-33-31-63-65(96)74(104)85-60(39-49-19-25-51-15-11-13-17-53(51)35-49)72(102)84-59(69-90-79(113)112-93-69)37-47-21-27-57(28-22-47)110-43-55-41-99(95-91-55)64-32-34-97(77(107)68(81(6,7)8)89-71(101)46(2)83-10)66(64)75(105)86-61(40-50-20-26-52-16-12-14-18-54(52)36-50)73(103)87-62(78(108)109)38-48-23-29-58(30-24-48)111-44-56-42-98(63)94-92-56/h11-30,35-36,41-42,45-46,59-68,82-83H,31-34,37-40,43-44H2,1-10H3,(H,84,102)(H,85,104)(H,86,105)(H,87,103)(H,88,100)(H,89,101)(H,108,109)(H,90,93,113)/t45-,46-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312971
PNG
(US9605022, Example 6)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)OC)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C84H103N17O15S/c1-48(85-9)73(102)91-71(83(3,4)5)80(109)98-36-34-67-69(98)78(107)88-63(42-52-20-26-54-16-12-14-18-56(54)38-52)75(104)87-65(77(106)95-117(112,113)62-32-33-62)40-50-22-28-60(29-23-50)115-46-58-44-101(97-93-58)68-35-37-99(81(110)72(84(6,7)8)92-74(103)49(2)86-10)70(68)79(108)89-64(43-53-21-27-55-17-13-15-19-57(55)39-53)76(105)90-66(82(111)114-11)41-51-24-30-61(31-25-51)116-47-59-45-100(67)96-94-59/h12-31,38-39,44-45,48-49,62-72,85-86H,32-37,40-43,46-47H2,1-11H3,(H,87,104)(H,88,107)(H,89,108)(H,90,105)(H,91,102)(H,92,103)(H,95,106)/t48-,49-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50343521
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCc2ccc(CCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1
Show InChI InChI=1S/C60H80N14O6/c1-39(61-3)55(75)63-47-25-13-11-23-45-31-33-51(73(45)59(47)79)57(77)65-53(43-19-7-5-8-20-43)49-37-71(69-67-49)35-15-17-41-27-29-42(30-28-41)18-16-36-72-38-50(68-70-72)54(44-21-9-6-10-22-44)66-58(78)52-34-32-46-24-12-14-26-48(60(80)74(46)52)64-56(76)40(2)62-4/h5-10,19-22,27-30,37-40,45-48,51-54,61-62H,11-18,23-26,31-36H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t39-,40-,45-,46-,47-,48-,51-,52-,53-,54-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Competitive inhibition of human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay


J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50326216
PNG
((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC[C@H](C[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C33H43N5O4/c1-21(34-2)31(40)37-28-17-15-24(35-30(39)19-22-9-4-3-5-10-22)20-25-16-18-29(38(25)33(28)42)32(41)36-27-14-8-12-23-11-6-7-13-26(23)27/h3-7,9-11,13,21,24-25,27-29,34H,8,12,14-20H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)/t21-,24+,25+,27+,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...


J Med Chem 53: 6361-7 (2010)


Article DOI: 10.1021/jm100487z
BindingDB Entry DOI: 10.7270/Q27H1JTQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365842
PNG
(CHEMBL1957022)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cc(Cl)cc(Cl)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H45Cl2N5O3/c1-3-31(40-2)35(45)43-34-27(18-19-41-23-24-20-28(38)22-29(39)21-24)14-15-30-16-17-32(44(30)37(34)47)36(46)42-33(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,20-22,27,30-34,40-41H,3,14-19,23H2,1-2H3,(H,42,46)(H,43,45)/t27-,30+,31+,32+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50401474
PNG
(CHEMBL2205247)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCCCCNc1c(NCCCCCNC(=O)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N23)c2ccccc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C62H90N12O12/c1-5-43(63-3)55(79)71-49-39(35-75)23-25-41-27-29-45(73(41)61(49)85)57(81)69-47(37-19-11-7-12-20-37)59(83)67-33-17-9-15-31-65-51-52(54(78)53(51)77)66-32-16-10-18-34-68-60(84)48(38-21-13-8-14-22-38)70-58(82)46-30-28-42-26-24-40(36-76)50(62(86)74(42)46)72-56(80)44(6-2)64-4/h7-8,11-14,19-22,39-50,63-66,75-76H,5-6,9-10,15-18,23-36H2,1-4H3,(H,67,83)(H,68,84)(H,69,81)(H,70,82)(H,71,79)(H,72,80)/t39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Fondazione IRCCS Istituto Nazionale dei Tumori

Curated by ChEMBL


Assay Description
Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay


Bioorg Med Chem 20: 6709-23 (2012)


Article DOI: 10.1016/j.bmc.2012.09.041
BindingDB Entry DOI: 10.7270/Q2P84D2Z
More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312975
PNG
(US9605022, Example 9)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCc2cc(F)c(O)c(F)c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(=O)OC)C(C)(C)C
Show InChI InChI=1S/C90H105F2N17O15/c1-50(93-9)79(112)100-77(89(3,4)5)86(119)106-34-32-71-74(106)84(117)97-69(43-55-21-27-58-17-13-15-19-60(58)37-55)83(116)98-70(88(121)122-11)42-53-24-30-65(31-25-53)124-49-63-47-109(105-103-63)72-33-35-107(87(120)78(90(6,7)8)101-80(113)51(2)94-10)75(72)85(118)99-73(110)44-61(38-54-20-26-57-16-12-14-18-59(57)36-54)81(114)96-68(82(115)95-45-56-39-66(91)76(111)67(92)40-56)41-52-22-28-64(29-23-52)123-48-62-46-108(71)104-102-62/h12-31,36-37,39-40,46-47,50-51,61,68-72,74-75,77-78,93-94,111H,32-35,38,41-45,48-49H2,1-11H3,(H,95,115)(H,96,114)(H,97,117)(H,98,116)(H,100,112)(H,101,113)(H,99,110,118)/t50-,51-,61+,68-,69-,70-,71+,72+,74-,75-,77+,78+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50393630
PNG
(CHEMBL2158599)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1
Show InChI InChI=1S/C56H80N14O6/c1-37(57-3)51(71)59-43-27-17-15-25-41-29-31-47(69(41)55(43)75)53(73)61-49(39-21-11-9-12-22-39)45-35-67(65-63-45)33-19-7-5-6-8-20-34-68-36-46(64-66-68)50(40-23-13-10-14-24-40)62-54(74)48-32-30-42-26-16-18-28-44(56(76)70(42)48)60-52(72)38(2)58-4/h9-14,21-24,35-38,41-44,47-50,57-58H,5-8,15-20,25-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BIR3 domain of cIAP1 by fluorescence polarization assay


J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50343523
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1
Show InChI InChI=1S/C58H84N14O6/c1-39(59-3)53(73)61-45-29-19-17-27-43-31-33-49(71(43)57(45)77)55(75)63-51(41-23-13-11-14-24-41)47-37-69(67-65-47)35-21-9-7-5-6-8-10-22-36-70-38-48(66-68-70)52(42-25-15-12-16-26-42)64-56(76)50-34-32-44-28-18-20-30-46(58(78)72(44)50)62-54(74)40(2)60-4/h11-16,23-26,37-40,43-46,49-52,59-60H,5-10,17-22,27-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Competitive inhibition of human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay


J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
XIAP-BIR2


(Homo sapiens (Human))
BDBM312991
PNG
(US9605022, Example 20)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=O)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C81H96N18O14/c1-45(82-9)70(100)88-67(80(3,4)5)76(106)96-33-31-63-65(96)74(104)85-60(39-49-19-25-51-15-11-13-17-53(51)35-49)72(102)84-59(69-90-79(110)113-93-69)37-47-21-27-57(28-22-47)111-43-55-41-99(95-91-55)64-32-34-97(77(107)68(81(6,7)8)89-71(101)46(2)83-10)66(64)75(105)86-61(40-50-20-26-52-16-12-14-18-54(52)36-50)73(103)87-62(78(108)109)38-48-23-29-58(30-24-48)112-44-56-42-98(63)94-92-56/h11-30,35-36,41-42,45-46,59-68,82-83H,31-34,37-40,43-44H2,1-10H3,(H,84,102)(H,85,104)(H,86,105)(H,87,103)(H,88,100)(H,89,101)(H,108,109)(H,90,93,110)/t45-,46-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...


US Patent US9605022 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50401482
PNG
(CHEMBL2204573)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCc2cn(C[C@H]3CC[C@H]4CC[C@H](N4C(=O)[C@H]3NC(=O)[C@H](CC)NC)C(=O)NC(c3ccccc3)c3ccccc3)nn2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C63H80N12O7/c1-5-49(64-3)58(77)69-56-44(27-30-47-32-34-51(74(47)62(56)81)60(79)67-54(40-19-11-7-12-20-40)41-21-13-8-14-22-41)37-66-53(76)36-29-46-39-73(72-71-46)38-45-28-31-48-33-35-52(75(48)63(82)57(45)70-59(78)50(6-2)65-4)61(80)68-55(42-23-15-9-16-24-42)43-25-17-10-18-26-43/h7-26,39,44-45,47-52,54-57,64-65H,5-6,27-38H2,1-4H3,(H,66,76)(H,67,79)(H,68,80)(H,69,77)(H,70,78)/t44-,45-,47+,48+,49+,50+,51+,52+,56+,57+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Fondazione IRCCS Istituto Nazionale dei Tumori

Curated by ChEMBL


Assay Description
Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay


Bioorg Med Chem 20: 6709-23 (2012)


Article DOI: 10.1016/j.bmc.2012.09.041
BindingDB Entry DOI: 10.7270/Q2P84D2Z
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50071844
PNG
(CHEMBL3410875)
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)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
Show InChI InChI=1S/C56H77N9O7/c1-32(57-9)48(66)62-46(55(3,4)5)53(71)64-30-37-27-39(26-25-36(37)28-44(64)51(69)60-42-23-15-19-34-17-11-13-21-40(34)42)59-50(68)38-29-45(52(70)61-43-24-16-20-35-18-12-14-22-41(35)43)65(31-38)54(72)47(56(6,7)8)63-49(67)33(2)58-10/h11-14,17-18,21-22,25-27,32-33,38,42-47,57-58H,15-16,19-20,23-24,28-31H2,1-10H3,(H,59,68)(H,60,69)(H,61,70)(H,62,66)(H,63,67)/t32-,33-,38-,42+,43+,44-,45-,46+,47+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal His-tagged cIAP1 BIR2-3 C202A/C213G mutant after 60 mins by HTRF assay


J Med Chem 58: 1556-62 (2015)


Article DOI: 10.1021/jm501482t
BindingDB Entry DOI: 10.7270/Q2N29ZM8
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50001129
PNG
(CHEMBL3236390)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(C[C@H]3N2C1=O)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@@H]2C[C@@H]3CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@@H]2C1)c1ccccc1)c1ccccc1
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/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))
BDBM50078359
PNG
(CHEMBL3414729)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1cn2nn1)C(O)=O)C(O)=O
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Ensemble Therapeutics Corp

Curated by ChEMBL


Assay Description
Inhibition of cIAP1 BIR2-3 (154 to 352 residues) (unknown origin) fluoresceinated dimeric SMAC peptide based fluorescence polarization assay


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
Displayed 1 to 50 (of 766 total )  |  Next  |  Last  >>
Jump to: