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USPatent US9018214

Compile Data Set for Download or QSAR

Found 370 hits of Enzyme Inhibition Constant Data   
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
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156026
PNG
(US9018214, 77)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3F)cc12 |r|
Show InChI InChI=1S/C25H33FN4O2/c1-17-13-29(20(11-27-17)15-32-4)14-24(31)30-16-25(2,3)21-12-28-19(10-23(21)30)9-18-7-5-6-8-22(18)26/h5-8,10,12,17,20,27H,9,11,13-16H2,1-4H3/t17-,20-/m1/s1
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n/an/a 9n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156180
PNG
(US9018214, 231)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)C(F)(F)CC2CC2)[C@@H](CN2CCOCC2)CN1 |r|
Show InChI InChI=1S/C26H39F2N5O2/c1-18-14-32(21(13-29-18)15-31-6-8-35-9-7-31)16-23(34)33-17-25(2,3)24-22(33)10-20(12-30-24)26(27,28)11-19-4-5-19/h10,12,18-19,21,29H,4-9,11,13-17H2,1-3H3/t18-,21-/m1/s1
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n/an/a 9.5n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156012
PNG
(US9018214, 63)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C25H34N4O2/c1-18-14-28(21(12-26-18)16-31-4)15-24(30)29-17-25(2,3)22-13-27-20(11-23(22)29)10-19-8-6-5-7-9-19/h5-9,11,13,18,21,26H,10,12,14-17H2,1-4H3/t18-,21-/m1/s1
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n/an/a 10n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156135
PNG
(US9018214, 186)
Show SMILES CCC(F)(F)c1cnc2c(c1)N(CC2(C)C)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCOC[C@H]1C |r|
Show InChI InChI=1S/C25H39F2N5O2/c1-6-25(26,27)19-9-21-23(29-10-19)24(4,5)16-32(21)22(33)14-31-12-17(2)28-11-20(31)13-30-7-8-34-15-18(30)3/h9-10,17-18,20,28H,6-8,11-16H2,1-5H3/t17-,18-,20-/m1/s1
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n/an/a 11n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156124
PNG
(US9018214, 175)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@@](C)(c2cc(C)no2)c2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H36N4O3/c1-20-12-27(36-31-20)29(3)19-33(28(34)17-32-16-21(2)30-15-24(32)18-35-4)26-14-23(10-11-25(26)29)13-22-8-6-5-7-9-22/h5-12,14,21,24,30H,13,15-19H2,1-4H3/t21-,24-,29-/m1/s1
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n/an/a 11n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156119
PNG
(US9018214, 170)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[C@H](CN1)C(=O)N(C)C |r|
Show InChI InChI=1S/C26H35N5O2/c1-18-15-30(22(14-27-18)25(33)29(4)5)16-23(32)31-17-26(2,3)24-21(31)12-20(13-28-24)11-19-9-7-6-8-10-19/h6-10,12-13,18,22,27H,11,14-17H2,1-5H3/t18-,22-/m1/s1
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n/an/a 11n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156093
PNG
(US9018214, 144)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(c2ccc(Cc3ccccc3)cc12)c1ccccn1 |r|
Show InChI InChI=1S/C30H36N4O2/c1-22-18-33(25(17-32-22)20-36-3)19-29(35)34-21-30(2,28-11-7-8-14-31-28)26-13-12-24(16-27(26)34)15-23-9-5-4-6-10-23/h4-14,16,22,25,32H,15,17-21H2,1-3H3/t22-,25-,30?/m1/s1
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n/an/a 12n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156035
PNG
(US9018214, 86)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3cccc(Cl)c3)cc12 |r|
Show InChI InChI=1S/C25H33ClN4O2/c1-17-13-29(21(11-27-17)15-32-4)14-24(31)30-16-25(2,3)22-12-28-20(10-23(22)30)9-18-6-5-7-19(26)8-18/h5-8,10,12,17,21,27H,9,11,13-16H2,1-4H3/t17-,21-/m1/s1
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n/an/a 12n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156048
PNG
(US9018214, 99)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc23)[C@H](CN1)C(=O)N(C)C |r|
Show InChI InChI=1S/C26H35N5O2/c1-18-15-30(23(14-27-18)25(33)29(4)5)16-24(32)31-17-26(2,3)21-13-28-20(12-22(21)31)11-19-9-7-6-8-10-19/h6-10,12-13,18,23,27H,11,14-17H2,1-5H3/t18-,23-/m1/s1
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n/an/a 12n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156112
PNG
(US9018214, 163)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(c2ccc(Cc3ccccc3)cc12)c1cccnc1 |r|
Show InChI InChI=1S/C30H36N4O2/c1-22-18-33(26(17-32-22)20-36-3)19-29(35)34-21-30(2,25-10-7-13-31-16-25)27-12-11-24(15-28(27)34)14-23-8-5-4-6-9-23/h4-13,15-16,22,26,32H,14,17-21H2,1-3H3/t22-,26-,30?/m1/s1
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n/an/a 13n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156099
PNG
(US9018214, 150)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(cc12)-c1cc2ccccc2o1 |r|
Show InChI InChI=1S/C26H32N4O3/c1-17-13-29(19(11-27-17)15-32-4)14-25(31)30-16-26(2,3)20-12-28-21(10-22(20)30)24-9-18-7-5-6-8-23(18)33-24/h5-10,12,17,19,27H,11,13-16H2,1-4H3/t17-,19-/m1/s1
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n/an/a 14n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156169
PNG
(US9018214, 220)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc23)[C@@H](CN2CCCC2)CN1 |r|
Show InChI InChI=1S/C28H37F2N5O/c1-19-15-34(23(13-31-19)16-33-8-4-5-9-33)17-27(36)35-18-28(2,3)24-14-32-22(12-26(24)35)10-20-6-7-21(29)11-25(20)30/h6-7,11-12,14,19,23,31H,4-5,8-10,13,15-18H2,1-3H3/t19-,23-/m1/s1
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n/an/a 14n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156086
PNG
(US9018214, 137)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ncc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C25H34N4O2/c1-18-14-28(21(13-26-18)16-31-4)15-23(30)29-17-25(2,3)24-22(29)11-20(12-27-24)10-19-8-6-5-7-9-19/h5-9,11-12,18,21,26H,10,13-17H2,1-4H3/t18-,21-/m1/s1
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n/an/a 14n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156161
PNG
(US9018214, 212)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(cc23)C(F)(F)C2CC2)[C@@H](CN2CCCC2=O)CN1 |r|
Show InChI InChI=1S/C25H35F2N5O2/c1-16-12-31(18(10-28-16)13-30-8-4-5-22(30)33)14-23(34)32-15-24(2,3)19-11-29-21(9-20(19)32)25(26,27)17-6-7-17/h9,11,16-18,28H,4-8,10,12-15H2,1-3H3/t16-,18-/m1/s1
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Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156204
PNG
(US9018214, 255)
Show SMILES CC[C@@H]1COCCN1C[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ncc(cc12)C(F)(F)CC |r|
Show InChI InChI=1S/C26H41F2N5O2/c1-6-20-16-35-9-8-31(20)14-21-12-29-18(3)13-32(21)15-23(34)33-17-25(4,5)24-22(33)10-19(11-30-24)26(27,28)7-2/h10-11,18,20-21,29H,6-9,12-17H2,1-5H3/t18-,20-,21-/m1/s1
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n/an/a 14n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156043
PNG
(US9018214, 94)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C26H35N3O2/c1-19-15-28(22(14-27-19)17-31-4)16-25(30)29-18-26(2,3)23-11-10-21(13-24(23)29)12-20-8-6-5-7-9-20/h5-11,13,19,22,27H,12,14-18H2,1-4H3/t19-,22-/m1/s1
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n/an/a 14n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156049
PNG
(US9018214, 100)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc23)[C@H](CN1)C(=O)N1CCC1 |r|
Show InChI InChI=1S/C27H35N5O2/c1-19-16-31(24(15-28-19)26(34)30-10-7-11-30)17-25(33)32-18-27(2,3)22-14-29-21(13-23(22)32)12-20-8-5-4-6-9-20/h4-6,8-9,13-14,19,24,28H,7,10-12,15-18H2,1-3H3/t19-,24-/m1/s1
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n/an/a 14n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156114
PNG
(US9018214, 165)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Oc4ccccc4Cl)cc23)[C@H](CN1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C27H34ClN5O4/c1-18-15-32(22(14-29-18)26(35)31-8-10-36-11-9-31)16-25(34)33-17-27(2,3)19-13-30-24(12-21(19)33)37-23-7-5-4-6-20(23)28/h4-7,12-13,18,22,29H,8-11,14-17H2,1-3H3/t18-,22-/m1/s1
PDB

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n/an/a 14n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156138
PNG
(US9018214, 189)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Oc4ccccc4Cl)cc23)[C@@H](CN2CCOC2=O)CN1 |r|
Show InChI InChI=1S/C26H32ClN5O4/c1-17-13-31(18(11-28-17)14-30-8-9-35-25(30)34)15-24(33)32-16-26(2,3)19-12-29-23(10-21(19)32)36-22-7-5-4-6-20(22)27/h4-7,10,12,17-18,28H,8-9,11,13-16H2,1-3H3/t17-,18-/m1/s1
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n/an/a 14n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156038
PNG
(US9018214, 89)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3cccc(OC)c3)cc12 |r|
Show InChI InChI=1S/C26H36N4O3/c1-18-14-29(21(12-27-18)16-32-4)15-25(31)30-17-26(2,3)23-13-28-20(11-24(23)30)9-19-7-6-8-22(10-19)33-5/h6-8,10-11,13,18,21,27H,9,12,14-17H2,1-5H3/t18-,21-/m1/s1
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n/an/a 16n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156025
PNG
(US9018214, 76)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC2(CN(C2)C(C)=O)c2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H36N4O3/c1-20-14-30(24(13-29-20)16-35-3)15-27(34)32-19-28(17-31(18-28)21(2)33)25-10-9-23(12-26(25)32)11-22-7-5-4-6-8-22/h4-10,12,20,24,29H,11,13-19H2,1-3H3/t20-,24-/m1/s1
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n/an/a 16n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156024
PNG
(US9018214, 75)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(CCC(C)C)cc12 |r|
Show InChI InChI=1S/C23H38N4O2/c1-16(2)7-8-18-9-21-20(11-25-18)23(4,5)15-27(21)22(28)13-26-12-17(3)24-10-19(26)14-29-6/h9,11,16-17,19,24H,7-8,10,12-15H2,1-6H3/t17-,19-/m1/s1
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n/an/a 16n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156202
PNG
(US9018214, 253)
Show SMILES CC[C@@H]1COCCN1C[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ncc(cc12)C(C)(F)F |r|
Show InChI InChI=1S/C25H39F2N5O2/c1-6-19-15-34-8-7-30(19)13-20-11-28-17(2)12-31(20)14-22(33)32-16-24(3,4)23-21(32)9-18(10-29-23)25(5,26)27/h9-10,17,19-20,28H,6-8,11-16H2,1-5H3/t17-,19-,20-/m1/s1
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n/an/a 17n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156016
PNG
(US9018214, 67)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cc(=O)n(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C25H34N4O3/c1-18-12-27(20(11-26-18)16-32-4)15-24(31)29-17-25(2,3)21-10-23(30)28(14-22(21)29)13-19-8-6-5-7-9-19/h5-10,14,18,20,26H,11-13,15-17H2,1-4H3/t18-,20-/m1/s1
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n/an/a 17n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156095
PNG
(US9018214, 146)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(cc12)C(F)(F)c1ccccc1 |r|
Show InChI InChI=1S/C25H32F2N4O2/c1-17-13-30(19(11-28-17)15-33-4)14-23(32)31-16-24(2,3)20-12-29-22(10-21(20)31)25(26,27)18-8-6-5-7-9-18/h5-10,12,17,19,28H,11,13-16H2,1-4H3/t17-,19-/m1/s1
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n/an/a 17n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156046
PNG
(US9018214, 97)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3cccc(F)c3)cc12 |r|
Show InChI InChI=1S/C25H33FN4O2/c1-17-13-29(21(11-27-17)15-32-4)14-24(31)30-16-25(2,3)22-12-28-20(10-23(22)30)9-18-6-5-7-19(26)8-18/h5-8,10,12,17,21,27H,9,11,13-16H2,1-4H3/t17-,21-/m1/s1
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n/an/a 17n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156126
PNG
(US9018214, 177)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Oc4ccccc4Cl)cc23)[C@@H](Cn2cc(F)cn2)CN1 |r|
Show InChI InChI=1S/C26H30ClFN6O2/c1-17-12-32(19(10-29-17)14-33-13-18(28)9-31-33)15-25(35)34-16-26(2,3)20-11-30-24(8-22(20)34)36-23-7-5-4-6-21(23)27/h4-9,11,13,17,19,29H,10,12,14-16H2,1-3H3/t17-,19-/m1/s1
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n/an/a 18n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156040
PNG
(US9018214, 91)
Show SMILES CC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C25H34N4O/c1-5-21-13-26-18(2)15-28(21)16-24(30)29-17-25(3,4)22-14-27-20(12-23(22)29)11-19-9-7-6-8-10-19/h6-10,12,14,18,21,26H,5,11,13,15-17H2,1-4H3/t18-,21+/m1/s1
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n/an/a 19n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156100
PNG
(US9018214, 151)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Oc4ccccc4Cl)cc23)[C@H](CN1)C(=O)N(C)C |r|
Show InChI InChI=1S/C25H32ClN5O3/c1-16-13-30(20(12-27-16)24(33)29(4)5)14-23(32)31-15-25(2,3)17-11-28-22(10-19(17)31)34-21-9-7-6-8-18(21)26/h6-11,16,20,27H,12-15H2,1-5H3/t16-,20-/m1/s1
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n/an/a 19n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156070
PNG
(US9018214, 121)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc23)[C@@H](CF)CN1 |r|
Show InChI InChI=1S/C24H31FN4O/c1-17-14-28(20(11-25)12-26-17)15-23(30)29-16-24(2,3)21-13-27-19(10-22(21)29)9-18-7-5-4-6-8-18/h4-8,10,13,17,20,26H,9,11-12,14-16H2,1-3H3/t17-,20+/m1/s1
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n/an/a 21n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156175
PNG
(US9018214, 226)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)C(F)(F)C2CCC2)[C@@H](CN2CCCC2=O)CN1 |r|
Show InChI InChI=1S/C26H37F2N5O2/c1-17-13-32(20(12-29-17)14-31-9-5-8-22(31)34)15-23(35)33-16-25(2,3)24-21(33)10-19(11-30-24)26(27,28)18-6-4-7-18/h10-11,17-18,20,29H,4-9,12-16H2,1-3H3/t17-,20-/m1/s1
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n/an/a 21n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156184
PNG
(US9018214, 235)
Show SMILES CC(C)CC(F)(F)c1cnc2c(c1)N(CC2(C)C)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCOCC1 |r|
Show InChI InChI=1S/C26H41F2N5O2/c1-18(2)11-26(27,28)20-10-22-24(30-12-20)25(4,5)17-33(22)23(34)16-32-14-19(3)29-13-21(32)15-31-6-8-35-9-7-31/h10,12,18-19,21,29H,6-9,11,13-17H2,1-5H3/t19-,21-/m1/s1
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n/an/a 21n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156160
PNG
(US9018214, 211)
Show SMILES CC(C)C(F)(F)c1cc2N(CC(C)(C)c2cn1)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O |r|
Show InChI InChI=1S/C25H37F2N5O2/c1-16(2)25(26,27)21-9-20-19(11-29-21)24(4,5)15-32(20)23(34)14-31-12-17(3)28-10-18(31)13-30-8-6-7-22(30)33/h9,11,16-18,28H,6-8,10,12-15H2,1-5H3/t17-,18-/m1/s1
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n/an/a 22n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156047
PNG
(US9018214, 98)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccc(OC)cc3)cc12 |r|
Show InChI InChI=1S/C26H36N4O3/c1-18-14-29(21(12-27-18)16-32-4)15-25(31)30-17-26(2,3)23-13-28-20(11-24(23)30)10-19-6-8-22(33-5)9-7-19/h6-9,11,13,18,21,27H,10,12,14-17H2,1-5H3/t18-,21-/m1/s1
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n/an/a 23n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156147
PNG
(US9018214, 198)
Show SMILES CCC(F)(F)c1cc2N(CC(C)(C)c2cn1)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O |r|
Show InChI InChI=1S/C24H35F2N5O2/c1-5-24(25,26)20-9-19-18(11-28-20)23(3,4)15-31(19)22(33)14-30-12-16(2)27-10-17(30)13-29-8-6-7-21(29)32/h9,11,16-17,27H,5-8,10,12-15H2,1-4H3/t16-,17-/m1/s1
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n/an/a 23n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156055
PNG
(US9018214, 106)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(cc12)C1=CCCCC1 |r,t:27|
Show InChI InChI=1S/C24H36N4O2/c1-17-13-27(19(11-25-17)15-30-4)14-23(29)28-16-24(2,3)20-12-26-21(10-22(20)28)18-8-6-5-7-9-18/h8,10,12,17,19,25H,5-7,9,11,13-16H2,1-4H3/t17-,19-/m1/s1
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n/an/a 23n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156036
PNG
(US9018214, 87)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(cc12)C(C)c1ccccc1 |r|
Show InChI InChI=1S/C26H36N4O2/c1-18-14-29(21(12-27-18)16-32-5)15-25(31)30-17-26(3,4)22-13-28-23(11-24(22)30)19(2)20-9-7-6-8-10-20/h6-11,13,18-19,21,27H,12,14-17H2,1-5H3/t18-,19?,21-/m1/s1
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n/an/a 24n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156205
PNG
(US9018214, 256)
Show SMILES CCC(F)(F)c1cnc2c(c1)N(CC2(C)C)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCOC[C@H]1COC |r|
Show InChI InChI=1S/C26H41F2N5O3/c1-6-26(27,28)19-9-22-24(30-10-19)25(3,4)17-33(22)23(34)14-32-12-18(2)29-11-20(32)13-31-7-8-36-16-21(31)15-35-5/h9-10,18,20-21,29H,6-8,11-17H2,1-5H3/t18-,20-,21-/m1/s1
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n/an/a 24n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156163
PNG
(US9018214, 214)
Show SMILES CCC(F)(F)c1cc2N(CC(C)(C)c2cn1)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CC[C@@H](F)C1 |r|
Show InChI InChI=1S/C24H36F3N5O/c1-5-24(26,27)21-8-20-19(10-29-21)23(3,4)15-32(20)22(33)14-31-11-16(2)28-9-18(31)13-30-7-6-17(25)12-30/h8,10,16-18,28H,5-7,9,11-15H2,1-4H3/t16-,17-,18-/m1/s1
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n/an/a 24n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156177
PNG
(US9018214, 228)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)C(C)(F)F)[C@@H](CN2CCN(C)C(=O)C2)CN1 |r|
Show InChI InChI=1S/C24H36F2N6O2/c1-16-11-31(18(10-27-16)12-30-7-6-29(5)20(33)13-30)14-21(34)32-15-23(2,3)22-19(32)8-17(9-28-22)24(4,25)26/h8-9,16,18,27H,6-7,10-15H2,1-5H3/t16-,18-/m1/s1
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n/an/a 24n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156028
PNG
(US9018214, 79)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(CC3CCCCC3)cc12 |r|
Show InChI InChI=1S/C25H40N4O2/c1-18-14-28(21(12-26-18)16-31-4)15-24(30)29-17-25(2,3)22-13-27-20(11-23(22)29)10-19-8-6-5-7-9-19/h11,13,18-19,21,26H,5-10,12,14-17H2,1-4H3/t18-,21-/m1/s1
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n/an/a 25n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156071
PNG
(US9018214, 122)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc23)[C@H](CN1)C(F)F |r|
Show InChI InChI=1S/C24H30F2N4O/c1-16-13-29(21(12-27-16)23(25)26)14-22(31)30-15-24(2,3)19-11-28-18(10-20(19)30)9-17-7-5-4-6-8-17/h4-8,10-11,16,21,23,27H,9,12-15H2,1-3H3/t16-,21-/m1/s1
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n/an/a 29n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156139
PNG
(US9018214, 190)
Show SMILES CCC(F)(F)c1cnc2c(c1)N(CC2(C)C)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O |r|
Show InChI InChI=1S/C24H35F2N5O2/c1-5-24(25,26)17-9-19-22(28-10-17)23(3,4)15-31(19)21(33)14-30-12-16(2)27-11-18(30)13-29-8-6-7-20(29)32/h9-10,16,18,27H,5-8,11-15H2,1-4H3/t16-,18-/m1/s1
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n/an/a 29n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156133
PNG
(US9018214, 184)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(cc23)C(C)(F)F)[C@@H](CN2CCCC2=O)CN1 |r|
Show InChI InChI=1S/C23H33F2N5O2/c1-15-11-29(16(9-26-15)12-28-7-5-6-20(28)31)13-21(32)30-14-22(2,3)17-10-27-19(8-18(17)30)23(4,24)25/h8,10,15-16,26H,5-7,9,11-14H2,1-4H3/t15-,16-/m1/s1
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n/an/a 31n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156136
PNG
(US9018214, 187)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)C(=O)c2ccccc2)[C@@H](CN2CCCC2=O)CN1 |r|
Show InChI InChI=1S/C28H35N5O3/c1-19-15-32(22(14-29-19)16-31-11-7-10-24(31)34)17-25(35)33-18-28(2,3)27-23(33)12-21(13-30-27)26(36)20-8-5-4-6-9-20/h4-6,8-9,12-13,19,22,29H,7,10-11,14-18H2,1-3H3/t19-,22-/m1/s1
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n/an/a 32n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156029
PNG
(US9018214, 80)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3cccc(c3)C#N)cc12 |r|
Show InChI InChI=1S/C26H33N5O2/c1-18-14-30(22(12-28-18)16-33-4)15-25(32)31-17-26(2,3)23-13-29-21(10-24(23)31)9-19-6-5-7-20(8-19)11-27/h5-8,10,13,18,22,28H,9,12,14-17H2,1-4H3/t18-,22-/m1/s1
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n/an/a 33n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156027
PNG
(US9018214, 78)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3Cl)cc12 |r|
Show InChI InChI=1S/C25H33ClN4O2/c1-17-13-29(20(11-27-17)15-32-4)14-24(31)30-16-25(2,3)21-12-28-19(10-23(21)30)9-18-7-5-6-8-22(18)26/h5-8,10,12,17,20,27H,9,11,13-16H2,1-4H3/t17-,20-/m1/s1
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n/an/a 35n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156059
PNG
(US9018214, 110)
Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Oc3ccccc3Cl)cc12 |r|
Show InChI InChI=1S/C24H31ClN4O3/c1-16-12-28(17(10-26-16)14-31-4)13-23(30)29-15-24(2,3)18-11-27-22(9-20(18)29)32-21-8-6-5-7-19(21)25/h5-9,11,16-17,26H,10,12-15H2,1-4H3/t16-,17-/m1/s1
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n/an/a 35n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156137
PNG
(US9018214, 188)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)C(C)(F)F)[C@@H](CN2CCCC2=O)CN1 |r|
Show InChI InChI=1S/C23H33F2N5O2/c1-15-11-29(17(10-26-15)12-28-7-5-6-19(28)31)13-20(32)30-14-22(2,3)21-18(30)8-16(9-27-21)23(4,24)25/h8-9,15,17,26H,5-7,10-14H2,1-4H3/t15-,17-/m1/s1
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n/an/a 40n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM156212
PNG
(US9018214, 265)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)CCN1 |r|
Show InChI InChI=1S/C23H29FN4O/c1-16-13-27(9-8-25-16)14-21(29)28-15-23(2,3)22-20(28)11-18(12-26-22)10-17-4-6-19(24)7-5-17/h4-7,11-12,16,25H,8-10,13-15H2,1-3H3/t16-/m1/s1
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n/an/a 41n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...

US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%