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Compile Data Set for Download or QSAR

Found 427 hits Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
XIAP-BIR3


(Homo sapiens (Human))
BDBM32576
PNG
(PS-1)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2c(nccc2s1)-c1ccccc1Cl
Show InChI InChI=1S/C27H32ClN5O3S/c1-16(29-2)25(34)31-22(17-10-14-36-15-11-17)27(35)33-13-5-8-20(33)26-32-24-21(37-26)9-12-30-23(24)18-6-3-4-7-19(18)28/h3-4,6-7,9,12,16-17,20,22,29H,5,8,10-11,13-15H2,1-2H3,(H,31,34)/t16-,20-,22-/m0/s1
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33 -42.3n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 4: 557-66 (2009)


Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32578
PNG
(CS-1)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C28H40N6O3/c1-18-15-16-33(28(37)24(21-11-7-5-8-12-21)31-26(35)20(3)29-4)25(18)27(36)30-23-17-19(2)32-34(23)22-13-9-6-10-14-22/h6,9-10,13-14,17-18,20-21,24-25,29H,5,7-8,11-12,15-16H2,1-4H3,(H,30,36)(H,31,35)/t18-,20-,24-,25-/m0/s1
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2.40E+3 -31.8n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 4: 557-66 (2009)


Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32579
PNG
(CS-2)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ncccn1
Show InChI InChI=1S/C27H36N6O3/c1-18(28-2)25(34)32-23(19-10-4-3-5-11-19)27(36)33-17-8-14-22(33)26(35)31-21-13-7-6-12-20(21)24-29-15-9-16-30-24/h6-7,9,12-13,15-16,18-19,22-23,28H,3-5,8,10-11,14,17H2,1-2H3,(H,31,35)(H,32,34)/t18-,22-,23-/m0/s1
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5.05E+3 -29.9n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 4: 557-66 (2009)


Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32580
PNG
(CS-3)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1
Show InChI InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1
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>3.40E+4>-25.2n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 4: 557-66 (2009)


Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32577
PNG
(ent-PS-1)
Show SMILES CN[C@H](C)C(=O)N[C@H](C1CCOCC1)C(=O)N1CCC[C@@H]1c1nc2c(nccc2s1)-c1ccccc1Cl
Show InChI InChI=1S/C27H32ClN5O3S/c1-16(29-2)25(34)31-22(17-10-14-36-15-11-17)27(35)33-13-5-8-20(33)26-32-24-21(37-26)9-12-30-23(24)18-6-3-4-7-19(18)28/h3-4,6-7,9,12,16-17,20,22,29H,5,8,10-11,13-15H2,1-2H3,(H,31,34)/t16-,20-,22-/m1/s1
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>3.40E+4>-25.2n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 4: 557-66 (2009)


Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM13211
PNG
((3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1
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25 -43.1 460n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM13212
PNG
((3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylam...)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1
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61 -40.9 530n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139084
PNG
(US8883771, 30)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C54H70N12O8/c1-31(55-3)47(67)61-43-29-63(25-23-37-19-21-45(65(37)51(43)71)49(69)59-41-27-39(41)33-11-7-5-8-12-33)53(73)57-35-15-17-36(18-16-35)58-54(74)64-26-24-38-20-22-46(50(70)60-42-28-40(42)34-13-9-6-10-14-34)66(38)52(72)44(30-64)62-48(68)32(2)56-4/h5-18,31-32,37-46,55-56H,19-30H2,1-4H3,(H,57,73)(H,58,74)(H,59,69)(H,60,70)(H,61,67)(H,62,68)/t31-,32-,37+,38+,39-,40-,41+,42+,43-,44-,45-,46-/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139085
PNG
(US8883771, 31)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1
Show InChI InChI=1S/C54H70N12O8/c1-31(55-3)47(67)61-43-29-63(25-23-37-19-21-45(65(37)51(43)71)49(69)59-41-27-39(41)33-11-7-5-8-12-33)53(73)57-35-15-17-36(18-16-35)58-54(74)64-26-24-38-20-22-46(50(70)60-42-28-40(42)34-13-9-6-10-14-34)66(38)52(72)44(30-64)62-48(68)32(2)56-4/h5-18,31-32,37-46,55-56H,19-30H2,1-4H3,(H,57,73)(H,58,74)(H,59,69)(H,60,70)(H,61,67)(H,62,68)/t31-,32-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139086
PNG
(US8883771, 32)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C58H78N12O8/c1-35(59-3)51(71)65-47-33-67(31-29-41-25-27-49(69(41)55(47)75)53(73)63-45-19-11-17-43(45)37-13-7-5-8-14-37)57(77)61-39-21-23-40(24-22-39)62-58(78)68-32-30-42-26-28-50(70(42)56(76)48(34-68)66-52(72)36(2)60-4)54(74)64-46-20-12-18-44(46)38-15-9-6-10-16-38/h5-10,13-16,21-24,35-36,41-50,59-60H,11-12,17-20,25-34H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t35-,36-,41+,42+,43-,44-,45+,46+,47-,48-,49-,50-/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139087
PNG
(US8883771, 33)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cc1
Show InChI InChI=1S/C58H78N12O8/c1-35(59-3)51(71)65-47-33-67(31-29-41-25-27-49(69(41)55(47)75)53(73)63-45-19-11-17-43(45)37-13-7-5-8-14-37)57(77)61-39-21-23-40(24-22-39)62-58(78)68-32-30-42-26-28-50(70(42)56(76)48(34-68)66-52(72)36(2)60-4)54(74)64-46-20-12-18-44(46)38-15-9-6-10-16-38/h5-10,13-16,21-24,35-36,41-50,59-60H,11-12,17-20,25-34H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t35-,36-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139088
PNG
(US8883771, 34)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1
Show InChI InChI=1S/C58H78N12O8/c1-35(59-3)51(71)65-47-33-67(31-29-41-25-27-49(69(41)55(47)75)53(73)63-45-19-11-17-43(45)37-13-7-5-8-14-37)57(77)61-39-21-23-40(24-22-39)62-58(78)68-32-30-42-26-28-50(70(42)56(76)48(34-68)66-52(72)36(2)60-4)54(74)64-46-20-12-18-44(46)38-15-9-6-10-16-38/h5-10,13-16,21-24,35-36,41-50,59-60H,11-12,17-20,25-34H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t35-,36-,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139089
PNG
(US8883771, 35)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCC[C@H]1c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2CCC[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C58H78N12O8/c1-35(59-3)51(71)65-47-33-67(31-29-41-25-27-49(69(41)55(47)75)53(73)63-45-19-11-17-43(45)37-13-7-5-8-14-37)57(77)61-39-21-23-40(24-22-39)62-58(78)68-32-30-42-26-28-50(70(42)56(76)48(34-68)66-52(72)36(2)60-4)54(74)64-46-20-12-18-44(46)38-15-9-6-10-16-38/h5-10,13-16,21-24,35-36,41-50,59-60H,11-12,17-20,25-34H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t35-,36-,41+,42+,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139090
PNG
(US8883771, 36)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2C[C@@H]2c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C56H68F6N12O8/c1-29(63-3)47(75)69-43-27-71(23-21-37-17-19-45(73(37)51(43)79)49(77)67-41-25-39(41)31-5-9-33(10-6-31)55(57,58)59)53(81)65-35-13-15-36(16-14-35)66-54(82)72-24-22-38-18-20-46(74(38)52(80)44(28-72)70-48(76)30(2)64-4)50(78)68-42-26-40(42)32-7-11-34(12-8-32)56(60,61)62/h5-16,29-30,37-46,63-64H,17-28H2,1-4H3,(H,65,81)(H,66,82)(H,67,77)(H,68,78)(H,69,75)(H,70,76)/t29-,30-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139091
PNG
(US8883771, 37)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1C[C@@H]1c1ccc(cc1F)C(F)(F)F)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2C[C@@H]2c2ccc(cc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C56H66F8N12O8/c1-27(65-3)47(77)71-43-25-73(19-17-33-11-15-45(75(33)51(43)81)49(79)69-41-23-37(41)35-13-5-29(21-39(35)57)55(59,60)61)53(83)67-31-7-9-32(10-8-31)68-54(84)74-20-18-34-12-16-46(76(34)52(82)44(26-74)72-48(78)28(2)66-4)50(80)70-42-24-38(42)36-14-6-30(22-40(36)58)56(62,63)64/h5-10,13-14,21-22,27-28,33-34,37-38,41-46,65-66H,11-12,15-20,23-26H2,1-4H3,(H,67,83)(H,68,84)(H,69,79)(H,70,80)(H,71,77)(H,72,78)/t27-,28-,33+,34+,37+,38+,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139092
PNG
(US8883771, 38)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1C[C@@H]1c1ccc(c(F)c1)C(F)(F)F)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@H]2C[C@@H]2c2ccc(c(F)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C56H66F8N12O8/c1-27(65-3)47(77)71-43-25-73(19-17-33-11-15-45(75(33)51(43)81)49(79)69-41-23-35(41)29-5-13-37(39(57)21-29)55(59,60)61)53(83)67-31-7-9-32(10-8-31)68-54(84)74-20-18-34-12-16-46(76(34)52(82)44(26-74)72-48(78)28(2)66-4)50(80)70-42-24-36(42)30-6-14-38(40(58)22-30)56(62,63)64/h5-10,13-14,21-22,27-28,33-36,41-46,65-66H,11-12,15-20,23-26H2,1-4H3,(H,67,83)(H,68,84)(H,69,79)(H,70,80)(H,71,77)(H,72,78)/t27-,28-,33+,34+,35+,36+,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139093
PNG
(US8883771, 39)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2)cc1
Show InChI InChI=1S/C61H76N12O8/c1-36(62-3)54(74)68-50-34-70(29-27-44-23-25-52(72(44)58(50)78)56(76)66-48-32-46(48)40-11-7-5-8-12-40)60(80)64-42-19-15-38(16-20-42)31-39-17-21-43(22-18-39)65-61(81)71-30-28-45-24-26-53(57(77)67-49-33-47(49)41-13-9-6-10-14-41)73(45)59(79)51(35-71)69-55(75)37(2)63-4/h5-22,36-37,44-53,62-63H,23-35H2,1-4H3,(H,64,80)(H,65,81)(H,66,76)(H,67,77)(H,68,74)(H,69,75)/t36-,37-,44+,45+,46+,47+,48-,49-,50-,51-,52-,53?/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139094
PNG
(US8883771, 40)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C60H90N12O8/c1-39(61-3)53(73)67-49-37-69(35-31-43-27-29-51(71(43)57(49)77)55(75)65-47-25-15-13-23-45(47)41-19-9-7-10-20-41)59(79)63-33-17-5-6-18-34-64-60(80)70-36-32-44-28-30-52(72(44)58(78)50(38-70)68-54(74)40(2)62-4)56(76)66-48-26-16-14-24-46(48)42-21-11-8-12-22-42/h7-12,19-22,39-40,43-52,61-62H,5-6,13-18,23-38H2,1-4H3,(H,63,79)(H,64,80)(H,65,75)(H,66,76)(H,67,73)(H,68,74)/t39-,40-,43+,44+,45+,46+,47-,48-,49-,50-,51-,52?/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139095
PNG
(US8883771, 41)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C60H90N12O8/c1-39(61-3)53(73)67-49-37-69(35-31-43-27-29-51(71(43)57(49)77)55(75)65-47-25-15-13-23-45(47)41-19-9-7-10-20-41)59(79)63-33-17-5-6-18-34-64-60(80)70-36-32-44-28-30-52(72(44)58(78)50(38-70)68-54(74)40(2)62-4)56(76)66-48-26-16-14-24-46(48)42-21-11-8-12-22-42/h7-12,19-22,39-40,43-52,61-62H,5-6,13-18,23-38H2,1-4H3,(H,63,79)(H,64,80)(H,65,75)(H,66,76)(H,67,73)(H,68,74)/t39-,40-,43+,44+,45-,46-,47+,48+,49-,50-,51-,52?/m0/s1
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n/an/a<5.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139096
PNG
(US8883771, 42)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C58H86N12O8/c1-37(59-3)51(71)65-47-35-67(33-29-41-25-27-49(69(41)55(47)75)53(73)63-45-23-15-21-43(45)39-17-9-7-10-18-39)57(77)61-31-13-5-6-14-32-62-58(78)68-34-30-42-26-28-50(70(42)56(76)48(36-68)66-52(72)38(2)60-4)54(74)64-46-24-16-22-44(46)40-19-11-8-12-20-40/h7-12,17-20,37-38,41-50,59-60H,5-6,13-16,21-36H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t37-,38-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50?/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139097
PNG
(US8883771, 43)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1
Show InChI InChI=1S/C58H86N12O8/c1-37(59-3)51(71)65-47-35-67(33-29-41-25-27-49(69(41)55(47)75)53(73)63-45-23-15-21-43(45)39-17-9-7-10-18-39)57(77)61-31-13-5-6-14-32-62-58(78)68-34-30-42-26-28-50(70(42)56(76)48(36-68)66-52(72)38(2)60-4)54(74)64-46-24-16-22-44(46)40-19-11-8-12-20-40/h7-12,17-20,37-38,41-50,59-60H,5-6,13-16,21-36H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t37-,38-,41+,42+,43-,44-,45+,46+,47-,48-,49-,50?/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139098
PNG
(US8883771, 44)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C58H86N12O8/c1-37(59-3)51(71)65-47-35-67(33-29-41-25-27-49(69(41)55(47)75)53(73)63-45-23-15-21-43(45)39-17-9-7-10-18-39)57(77)61-31-13-5-6-14-32-62-58(78)68-34-30-42-26-28-50(70(42)56(76)48(36-68)66-52(72)38(2)60-4)54(74)64-46-24-16-22-44(46)40-19-11-8-12-20-40/h7-12,17-20,37-38,41-50,59-60H,5-6,13-16,21-36H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t37-,38-,41+,42+,43+,44+,45+,46+,47-,48-,49-,50?/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139099
PNG
(US8883771, 45)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1CCC[C@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1CCC[C@H]1c1ccccc1
Show InChI InChI=1S/C58H86N12O8/c1-37(59-3)51(71)65-47-35-67(33-29-41-25-27-49(69(41)55(47)75)53(73)63-45-23-15-21-43(45)39-17-9-7-10-18-39)57(77)61-31-13-5-6-14-32-62-58(78)68-34-30-42-26-28-50(70(42)56(76)48(36-68)66-52(72)38(2)60-4)54(74)64-46-24-16-22-44(46)40-19-11-8-12-20-40/h7-12,17-20,37-38,41-50,59-60H,5-6,13-16,21-36H2,1-4H3,(H,61,77)(H,62,78)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t37-,38-,41+,42+,43-,44-,45-,46-,47-,48-,49-,50?/m0/s1
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n/an/a<3.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139100
PNG
(US8883771, 46)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC1Cc2ccccc2C1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C54H78N12O8/c1-33(55-3)47(67)61-43-31-63(25-21-41-17-19-45(65(41)51(43)71)49(69)59-39-27-35-13-7-8-14-36(35)28-39)53(73)57-23-11-5-6-12-24-58-54(74)64-26-22-42-18-20-46(50(70)60-40-29-37-15-9-10-16-38(37)30-40)66(42)52(72)44(32-64)62-48(68)34(2)56-4/h7-10,13-16,33-34,39-46,55-56H,5-6,11-12,17-32H2,1-4H3,(H,57,73)(H,58,74)(H,59,69)(H,60,70)(H,61,67)(H,62,68)/t33-,34-,41+,42+,43-,44-,45-,46?/m0/s1
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n/an/a<5.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139101
PNG
(US8883771, 47)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NCCc1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C52H78N12O8/c1-35(53-3)45(65)59-41-33-61(31-25-39-19-21-43(63(39)49(41)69)47(67)55-29-23-37-15-9-7-10-16-37)51(71)57-27-13-5-6-14-28-58-52(72)62-32-26-40-20-22-44(48(68)56-30-24-38-17-11-8-12-18-38)64(40)50(70)42(34-62)60-46(66)36(2)54-4/h7-12,15-18,35-36,39-44,53-54H,5-6,13-14,19-34H2,1-4H3,(H,55,67)(H,56,68)(H,57,71)(H,58,72)(H,59,65)(H,60,66)/t35-,36-,39+,40+,41-,42-,43-,44?/m0/s1
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n/an/a<5.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139102
PNG
(US8883771, 48)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1CC[C@@H]1c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1CC[C@@H]1c1ccccc1
Show InChI InChI=1S/C56H82N12O8/c1-35(57-3)49(69)63-45-33-65(31-27-39-19-25-47(67(39)53(45)73)51(71)61-43-23-21-41(43)37-15-9-7-10-16-37)55(75)59-29-13-5-6-14-30-60-56(76)66-32-28-40-20-26-48(68(40)54(74)46(34-66)64-50(70)36(2)58-4)52(72)62-44-24-22-42(44)38-17-11-8-12-18-38/h7-12,15-18,35-36,39-48,57-58H,5-6,13-14,19-34H2,1-4H3,(H,59,75)(H,60,76)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t35-,36-,39+,40+,41+,42+,43-,44-,45-,46-,47-,48?/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139103
PNG
(US8883771, 49)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1C[C@@H](C1)c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1C[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C56H82N12O8/c1-35(57-3)49(69)63-45-33-65(27-23-43-19-21-47(67(43)53(45)73)51(71)61-41-29-39(30-41)37-15-9-7-10-16-37)55(75)59-25-13-5-6-14-26-60-56(76)66-28-24-44-20-22-48(68(44)54(74)46(34-66)64-50(70)36(2)58-4)52(72)62-42-31-40(32-42)38-17-11-8-12-18-38/h7-12,15-18,35-36,39-48,57-58H,5-6,13-14,19-34H2,1-4H3,(H,59,75)(H,60,76)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t35-,36-,39-,40-,41-,42-,43+,44+,45-,46-,47-,48?/m0/s1
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n/an/a<5.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM139104
PNG
(US8883771, 50)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1C[C@H](C1)c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1C[C@H](C1)c1ccccc1
Show InChI InChI=1S/C56H82N12O8/c1-35(57-3)49(69)63-45-33-65(27-23-43-19-21-47(67(43)53(45)73)51(71)61-41-29-39(30-41)37-15-9-7-10-16-37)55(75)59-25-13-5-6-14-26-60-56(76)66-28-24-44-20-22-48(68(44)54(74)46(34-66)64-50(70)36(2)58-4)52(72)62-42-31-40(32-42)38-17-11-8-12-18-38/h7-12,15-18,35-36,39-48,57-58H,5-6,13-14,19-34H2,1-4H3,(H,59,75)(H,60,76)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t35-,36-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48?/m0/s1
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of Michigan

US Patent


Assay Description
Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...


US Patent US8883771 (2014)


BindingDB Entry DOI: 10.7270/Q2C24V4C
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM26203
PNG
((3S,6S,7S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphe...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H36N4O4/c1-2-22(29)26(34)31-25-20(17-33)13-14-21-15-16-23(32(21)28(25)36)27(35)30-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25,33H,2,13-17,29H2,1H3,(H,30,35)(H,31,34)/t20-,21+,22+,23+,25+/m1/s1
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n/an/a 270n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32581
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 3b)
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)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H38N4O4/c1-3-23(30-2)27(35)32-26-21(18-34)14-15-22-16-17-24(33(22)29(26)37)28(36)31-25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-26,30,34H,3,14-18H2,1-2H3,(H,31,36)(H,32,35)/t21-,22+,23+,24+,26+/m1/s1
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n/an/a 230n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM26204
PNG
((3S,6S,7R,9aS)-6-[(2S)-2-aminobutanamido]-7-(amino...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H37N5O3/c1-2-22(30)26(34)32-25-20(17-29)13-14-21-15-16-23(33(21)28(25)36)27(35)31-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25H,2,13-17,29-30H2,1H3,(H,31,35)(H,32,34)/t20-,21+,22+,23+,25+/m1/s1
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n/an/a 970n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32582
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 4b)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H39N5O3/c1-3-23(31-2)27(35)33-26-21(18-30)14-15-22-16-17-24(34(22)29(26)37)28(36)32-25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-26,31H,3,14-18,30H2,1-2H3,(H,32,36)(H,33,35)/t21-,22+,23+,24+,26+/m1/s1
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n/an/a 100n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32583
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 10a)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CN=[N+]=[N-])CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H35N7O3/c1-2-22(29)26(36)33-25-20(17-31-34-30)13-14-21-15-16-23(35(21)28(25)38)27(37)32-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25H,2,13-17,29H2,1H3,(H,32,37)(H,33,36)/t20-,21+,22+,23+,25+/m1/s1
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n/an/a 450n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32584
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 12a)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](COC(C)=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H38N4O5/c1-3-24(31)28(36)33-27-22(18-39-19(2)35)14-15-23-16-17-25(34(23)30(27)38)29(37)32-26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22-27H,3,14-18,31H2,1-2H3,(H,32,37)(H,33,36)/t22-,23+,24+,25+,27+/m1/s1
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n/an/a 400n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32585
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 12b)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](COC(=O)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H40N4O5/c1-2-28(36)32(40)38-31-26(22-44-35(43)25-16-10-5-11-17-25)18-19-27-20-21-29(39(27)34(31)42)33(41)37-30(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26-31H,2,18-22,36H2,1H3,(H,37,41)(H,38,40)/t26-,27+,28+,29+,31+/m1/s1
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n/an/a 600n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32586
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 14a)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](Cn2cc(nn2)[C@H](O)CC)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H43N7O4/c1-3-25(34)31(42)36-30-23(19-39-20-26(37-38-39)28(41)4-2)15-16-24-17-18-27(40(24)33(30)44)32(43)35-29(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,20,23-25,27-30,41H,3-4,15-19,34H2,1-2H3,(H,35,43)(H,36,42)/t23-,24+,25+,27+,28-,30+/m1/s1
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n/an/a 370n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32587
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 16a)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CN=C(N)N)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H39N7O3/c1-2-22(30)26(37)35-25-20(17-33-29(31)32)13-14-21-15-16-23(36(21)28(25)39)27(38)34-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25H,2,13-17,30H2,1H3,(H,34,38)(H,35,37)(H4,31,32,33)/t20-,21+,22+,23+,25+/m1/s1
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n/an/a 4.40E+3n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32588
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 18a | 1-...)
Show SMILES CCNC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H](N)CC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H41N5O3/c1-3-24(31)28(36)34-27-22(19-32-4-2)15-16-23-17-18-25(35(23)30(27)38)29(37)33-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,22-27,32H,3-4,15-19,31H2,1-2H3,(H,33,37)(H,34,36)/t22-,23+,24+,25+,27+/m1/s1
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n/an/a 240n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32589
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 18b | 1-...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H43N5O3/c1-2-29(36)33(41)39-32-27(23-37-22-24-12-6-3-7-13-24)18-19-28-20-21-30(40(28)35(32)43)34(42)38-31(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,27-32,37H,2,18-23,36H2,1H3,(H,38,42)(H,39,41)/t27-,28+,29+,30+,32+/m1/s1
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n/an/a 320n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32590
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 20a)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CN(C)Cc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H45N5O3/c1-3-30(37)34(42)39-33-28(24-40(2)23-25-13-7-4-8-14-25)19-20-29-21-22-31(41(29)36(33)44)35(43)38-32(26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,28-33H,3,19-24,37H2,1-2H3,(H,38,43)(H,39,42)/t28-,29+,30+,31+,33+/m1/s1
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PubMed
n/an/a 650n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32591
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 20b)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CN(CC)Cc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H47N5O3/c1-3-31(38)35(43)40-34-29(25-41(4-2)24-26-14-8-5-9-15-26)20-21-30-22-23-32(42(30)37(34)45)36(44)39-33(27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,29-34H,3-4,20-25,38H2,1-2H3,(H,39,44)(H,40,43)/t29-,30+,31+,32+,34+/m1/s1
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n/an/a 440n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32592
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 20c)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CN(CC)CC)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H45N5O3/c1-4-26(33)30(38)35-29-24(21-36(5-2)6-3)17-18-25-19-20-27(37(25)32(29)40)31(39)34-28(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,24-29H,4-6,17-21,33H2,1-3H3,(H,34,39)(H,35,38)/t24-,25+,26+,27+,29+/m1/s1
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n/an/a 370n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32593
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 22a)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(=O)CN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H40N6O4/c1-2-23(32)28(38)35-27-21(18-33-25(37)17-31)13-14-22-15-16-24(36(22)30(27)40)29(39)34-26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-24,26-27H,2,13-18,31-32H2,1H3,(H,33,37)(H,34,39)(H,35,38)/t21-,22+,23+,24+,27+/m1/s1
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PubMed
n/an/a 430n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32594
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 22b)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(C)=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H39N5O4/c1-3-24(31)28(37)34-27-22(18-32-19(2)36)14-15-23-16-17-25(35(23)30(27)39)29(38)33-26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22-27H,3,14-18,31H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)/t22-,23+,24+,25+,27+/m1/s1
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PubMed
n/an/a 330n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32595
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 22c | 1-...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(=O)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H41N5O4/c1-2-28(36)33(42)39-31-26(22-37-32(41)25-16-10-5-11-17-25)18-19-27-20-21-29(40(27)35(31)44)34(43)38-30(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26-31H,2,18-22,36H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t26-,27+,28+,29+,31+/m1/s1
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PubMed
n/an/a 260n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32596
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 24a)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNS(C)(=O)=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H39N5O5S/c1-3-23(30)27(35)33-26-21(18-31-40(2,38)39)14-15-22-16-17-24(34(22)29(26)37)28(36)32-25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-26,31H,3,14-18,30H2,1-2H3,(H,32,36)(H,33,35)/t21-,22+,23+,24+,26+/m1/s1
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PubMed
n/an/a 360n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32597
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 24b)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNS(=O)(=O)c2ccc(C)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H43N5O5S/c1-3-29(36)33(41)39-32-26(22-37-46(44,45)28-19-14-23(2)15-20-28)16-17-27-18-21-30(40(27)35(32)43)34(42)38-31(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-15,19-20,26-27,29-32,37H,3,16-18,21-22,36H2,1-2H3,(H,38,42)(H,39,41)/t26-,27+,29+,30+,32+/m1/s1
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PubMed
n/an/a 510n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32598
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 26a)
Show SMILES CCNC(=O)NC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H](N)CC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H42N6O4/c1-3-24(32)28(38)36-27-22(19-34-31(41)33-4-2)15-16-23-17-18-25(37(23)30(27)40)29(39)35-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,22-27H,3-4,15-19,32H2,1-2H3,(H,35,39)(H,36,38)(H2,33,34,41)/t22-,23+,24+,25+,27+/m1/s1
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n/an/a 300n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32599
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 26b | 1-...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(=O)NCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H44N6O4/c1-2-29(37)33(43)41-32-27(23-39-36(46)38-22-24-12-6-3-7-13-24)18-19-28-20-21-30(42(28)35(32)45)34(44)40-31(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,27-32H,2,18-23,37H2,1H3,(H,40,44)(H,41,43)(H2,38,39,46)/t27-,28+,29+,30+,32+/m1/s1
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PubMed
n/an/a 240n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32600
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 26c)
Show SMILES CCNC(=S)NC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H](N)CC)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H42N6O3S/c1-3-24(32)28(38)36-27-22(19-34-31(41)33-4-2)15-16-23-17-18-25(37(23)30(27)40)29(39)35-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,22-27H,3-4,15-19,32H2,1-2H3,(H,35,39)(H,36,38)(H2,33,34,41)/t22-,23+,24+,25+,27+/m1/s1
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PubMed
n/an/a 330n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
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