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Compile Data Set for Download or QSAR

Found 257 hits Enz. Inhib. hit(s) with Target = 'BIR2'   
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
BIR2


()
BDBM243163
PNG
(US10053431, 69b | US10053431, 69n)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O
Show InChI InChI=1S/C34H32F2N4O5/c1-20(37-3)31(42)38-27-19-40(32(43)24-14-12-22(13-15-24)21(2)41)29-11-7-6-10-28(29)39(33(27)44)18-26-25-9-5-4-8-23(25)16-17-30(26)45-34(35)36/h4-17,20,27,34,37H,18-19H2,1-3H3,(H,38,42)/t20-,27-/m0/s1
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US Patent
n/an/a 11n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441833
PNG
(CHEMBL2436334 | US10053431, 75b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C33H33BrN4O4/c1-20-9-11-22(12-10-20)32(40)38-19-27(36-31(39)21(2)35-3)33(41)37(28-7-5-6-8-29(28)38)18-26-25-15-14-24(34)17-23(25)13-16-30(26)42-4/h5-17,21,27,35H,18-19H2,1-4H3,(H,36,39)/t21-,27-/m0/s1
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n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243177
PNG
(US10053431, 75c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccno2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C29H28BrN5O5/c1-17(31-2)27(36)33-22-16-35(29(38)26-12-13-32-40-26)24-7-5-4-6-23(24)34(28(22)37)15-21-20-10-9-19(30)14-18(20)8-11-25(21)39-3/h4-14,17,22,31H,15-16H2,1-3H3,(H,33,36)/t17-,22-/m0/s1
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n/an/a 5n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441818
PNG
(CHEMBL2436213 | US10053431, 75d)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C31H35BrN4O5/c1-19(33-2)29(37)34-25-18-36(30(38)20-12-14-41-15-13-20)27-7-5-4-6-26(27)35(31(25)39)17-24-23-10-9-22(32)16-21(23)8-11-28(24)40-3/h4-11,16,19-20,25,33H,12-15,17-18H2,1-3H3,(H,34,37)/t19-,25-/m0/s1
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n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441810
PNG
(CHEMBL2436215 | US10053431, 76b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C28H31BrN4O6S/c1-17(30-2)27(35)31-22-15-32(26(34)16-40(4,37)38)23-7-5-6-8-24(23)33(28(22)36)14-21-20-11-10-19(29)13-18(20)9-12-25(21)39-3/h5-13,17,22,30H,14-16H2,1-4H3,(H,31,35)/t17-,22-/m0/s1
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n/an/a 9n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441828
PNG
(CHEMBL2436211 | US10053431, 76c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cnccn2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C30H29BrN6O4/c1-18(32-2)28(38)35-24-17-37(29(39)23-15-33-12-13-34-23)26-7-5-4-6-25(26)36(30(24)40)16-22-21-10-9-20(31)14-19(21)8-11-27(22)41-3/h4-15,18,24,32H,16-17H2,1-3H3,(H,35,38)/t18-,24-/m0/s1
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n/an/a 9n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243181
PNG
(US10053431, 76d)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C34H34BrN5O5/c1-20(36-3)32(42)38-28-19-40(33(43)22-9-13-25(14-10-22)37-21(2)41)30-8-6-5-7-29(30)39(34(28)44)18-27-26-15-12-24(35)17-23(26)11-16-31(27)45-4/h5-17,20,28,36H,18-19H2,1-4H3,(H,37,41)(H,38,42)/t20-,28-/m0/s1
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n/an/a 5n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243182
PNG
(US10053431, 76e)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccn(C)n2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C30H31BrN6O4/c1-18(32-2)28(38)33-24-17-37(29(39)23-13-14-35(3)34-23)26-8-6-5-7-25(26)36(30(24)40)16-22-21-11-10-20(31)15-19(21)9-12-27(22)41-4/h5-15,18,24,32H,16-17H2,1-4H3,(H,33,38)/t18-,24-/m0/s1
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n/an/a 10n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441819
PNG
(CHEMBL2436209 | US10053431, 89b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccnc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C31H30BrN5O4/c1-19(33-2)29(38)35-25-18-37(30(39)21-7-6-14-34-16-21)27-9-5-4-8-26(27)36(31(25)40)17-24-23-12-11-22(32)15-20(23)10-13-28(24)41-3/h4-16,19,25,33H,17-18H2,1-3H3,(H,35,38)/t19-,25-/m0/s1
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n/an/a 5n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243184
PNG
(US10053431, 89c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccccn2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C32H32BrN5O4/c1-20(34-2)31(40)36-26-19-37(30(39)17-23-8-6-7-15-35-23)27-9-4-5-10-28(27)38(32(26)41)18-25-24-13-12-22(33)16-21(24)11-14-29(25)42-3/h4-16,20,26,34H,17-19H2,1-3H3,(H,36,40)/t20-,26-/m0/s1
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n/an/a 10n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243185
PNG
(US10053431, 89d)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccc(Cl)nc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C32H31BrClN5O4/c1-19(35-2)31(41)37-25-18-38(30(40)14-20-8-13-29(34)36-16-20)26-6-4-5-7-27(26)39(32(25)42)17-24-23-11-10-22(33)15-21(23)9-12-28(24)43-3/h4-13,15-16,19,25,35H,14,17-18H2,1-3H3,(H,37,41)/t19-,25-/m0/s1
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n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243186
PNG
(US10053431, 89e)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cnn(C)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C30H31BrN6O4/c1-18(32-2)28(38)34-24-17-37(29(39)20-14-33-35(3)15-20)26-8-6-5-7-25(26)36(30(24)40)16-23-22-11-10-21(31)13-19(22)9-12-27(23)41-4/h5-15,18,24,32H,16-17H2,1-4H3,(H,34,38)/t18-,24-/m0/s1
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n/an/a 11n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441817
PNG
(CHEMBL2436332 | US10053431, 90b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C32H30BrFN4O4/c1-19(35-2)30(39)36-26-18-38(31(40)21-7-6-8-23(34)16-21)28-10-5-4-9-27(28)37(32(26)41)17-25-24-13-12-22(33)15-20(24)11-14-29(25)42-3/h4-16,19,26,35H,17-18H2,1-3H3,(H,36,39)/t19-,26-/m0/s1
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n/an/a 11n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243188
PNG
(US10053431, 90c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(c2)C#N)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C33H30BrN5O4/c1-20(36-2)31(40)37-27-19-39(32(41)23-8-6-7-21(15-23)17-35)29-10-5-4-9-28(29)38(33(27)42)18-26-25-13-12-24(34)16-22(25)11-14-30(26)43-3/h4-16,20,27,36H,18-19H2,1-3H3,(H,37,40)/t20-,27-/m0/s1
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n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441832
PNG
(CHEMBL2436205 | US10053431, 90d)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)S(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C33H33BrN4O6S/c1-20(35-2)31(39)36-27-19-38(32(40)21-9-13-24(14-10-21)45(4,42)43)29-8-6-5-7-28(29)37(33(27)41)18-26-25-15-12-23(34)17-22(25)11-16-30(26)44-3/h5-17,20,27,35H,18-19H2,1-4H3,(H,36,39)/t20-,27-/m0/s1
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n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243190
PNG
(US10053431, 90e)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCOC)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C29H33BrN4O5/c1-18(31-2)28(36)32-23-17-33(27(35)13-14-38-3)24-7-5-6-8-25(24)34(29(23)37)16-22-21-11-10-20(30)15-19(21)9-12-26(22)39-4/h5-12,15,18,23,31H,13-14,16-17H2,1-4H3,(H,32,36)/t18-,23-/m0/s1
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n/an/a 10n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243191
PNG
(US10053431, 90f)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2C#N)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C33H30BrN5O4/c1-20(36-2)31(40)37-27-19-39(32(41)25-9-5-4-8-22(25)17-35)29-11-7-6-10-28(29)38(33(27)42)18-26-24-14-13-23(34)16-21(24)12-15-30(26)43-3/h4-16,20,27,36H,18-19H2,1-3H3,(H,37,40)/t20-,27-/m0/s1
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n/an/a 20n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441811
PNG
(CHEMBL2436214 | US10053431, 91b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C27H29BrN4O4/c1-16(29-3)26(34)30-22-15-31(17(2)33)23-7-5-6-8-24(23)32(27(22)35)14-21-20-11-10-19(28)13-18(20)9-12-25(21)36-4/h5-13,16,22,29H,14-15H2,1-4H3,(H,30,34)/t16-,22-/m0/s1
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n/an/a 15n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441831
PNG
(CHEMBL2436212 | US10053431, 91c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)o2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C31H31BrN4O5/c1-18-9-13-28(41-18)31(39)36-17-24(34-29(37)19(2)33-3)30(38)35(25-7-5-6-8-26(25)36)16-23-22-12-11-21(32)15-20(22)10-14-27(23)40-4/h5-15,19,24,33H,16-17H2,1-4H3,(H,34,37)/t19-,24-/m0/s1
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n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243194
PNG
(US10053431, 91d)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(F)(F)F)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C33H30BrF3N4O4/c1-19(38-2)30(42)39-26-18-41(31(43)20-8-11-22(12-9-20)33(35,36)37)28-7-5-4-6-27(28)40(32(26)44)17-25-24-14-13-23(34)16-21(24)10-15-29(25)45-3/h4-16,19,26,38H,17-18H2,1-3H3,(H,39,42)/t19-,26-/m0/s1
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n/an/a 18n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243195
PNG
(US10053431, 96b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2nnn[nH]2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C28H30N8O3/c1-17-12-13-19-8-4-5-9-20(19)21(17)15-36-24-11-7-6-10-23(24)35(26(37)14-25-31-33-34-32-25)16-22(28(36)39)30-27(38)18(2)29-3/h4-13,18,22,29H,14-16H2,1-3H3,(H,30,38)(H,31,32,33,34)/t18-,22-/m0/s1
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n/an/a 71n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243196
PNG
(US10053431, 96c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC2CCOCC2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C32H38N4O4/c1-21-12-13-24-8-4-5-9-25(24)26(21)19-36-29-11-7-6-10-28(29)35(30(37)18-23-14-16-40-17-15-23)20-27(32(36)39)34-31(38)22(2)33-3/h4-13,22-23,27,33H,14-20H2,1-3H3,(H,34,38)/t22-,27-/m0/s1
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n/an/a 106n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243197
PNG
(US10053431, 96d)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C33H31N5O3/c1-21-12-15-24-8-4-5-9-26(24)27(21)19-37-29-10-6-7-11-30(29)38(32(40)25-16-13-23(18-34)14-17-25)20-28(33(37)41)36-31(39)22(2)35-3/h4-17,22,28,35H,19-20H2,1-3H3,(H,36,39)/t22-,28-/m0/s1
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n/an/a 46n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243198
PNG
(US10053431, 96e)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC2CCCCC2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C33H40N4O3/c1-22-17-18-25-13-7-8-14-26(25)27(22)20-37-30-16-10-9-15-29(30)36(31(38)19-24-11-5-4-6-12-24)21-28(33(37)40)35-32(39)23(2)34-3/h7-10,13-18,23-24,28,34H,4-6,11-12,19-21H2,1-3H3,(H,35,39)/t23-,28-/m0/s1
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n/an/a 685n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM243199
PNG
(US10053431, 96f)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C32H31ClN4O3/c1-20-12-13-22-8-4-5-9-25(22)26(20)18-36-28-10-6-7-11-29(28)37(31(39)23-14-16-24(33)17-15-23)19-27(32(36)40)35-30(38)21(2)34-3/h4-17,21,27,34H,18-19H2,1-3H3,(H,35,38)/t21-,27-/m0/s1
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n/an/a 20n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441803
PNG
(CHEMBL2436228 | US10053431, 1)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CNc2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C24H26N4O2/c1-16(25-2)23(29)27-21-14-26-20-12-5-6-13-22(20)28(24(21)30)15-18-10-7-9-17-8-3-4-11-19(17)18/h3-13,16,21,25-26H,14-15H2,1-2H3,(H,27,29)/t16-,21-/m0/s1
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n/an/a 4.39E+3n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM238896
PNG
(US10053431, 96g)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(c2)C(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C34H34N4O4/c1-21-16-17-24-10-5-6-13-27(24)28(21)19-37-30-14-7-8-15-31(30)38(20-29(34(37)42)36-32(40)22(2)35-4)33(41)26-12-9-11-25(18-26)23(3)39/h5-18,22,29,35H,19-20H2,1-4H3,(H,36,40)/t22-,29-/m0/s1
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n/an/a 65n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441802
PNG
(CHEMBL2436320 | US10053431, 2)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C26H28N4O3/c1-17(27-3)25(32)28-22-16-29(18(2)31)23-13-6-7-14-24(23)30(26(22)33)15-20-11-8-10-19-9-4-5-12-21(19)20/h4-14,17,22,27H,15-16H2,1-3H3,(H,28,32)/t17-,22-/m0/s1
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n/an/a 928n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM238898
PNG
(US10053431, 96h)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2cccnc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C32H33N5O3/c1-21-14-15-24-10-4-5-11-25(24)26(21)19-37-29-13-7-6-12-28(29)36(30(38)17-23-9-8-16-34-18-23)20-27(32(37)40)35-31(39)22(2)33-3/h4-16,18,22,27,33H,17,19-20H2,1-3H3,(H,35,39)/t22-,27-/m0/s1
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n/an/a 23n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441801
PNG
(CHEMBL2436321 | US10053431, 3)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C29H34N4O3/c1-19(2)16-27(34)32-18-24(31-28(35)20(3)30-4)29(36)33(26-15-8-7-14-25(26)32)17-22-12-9-11-21-10-5-6-13-23(21)22/h5-15,19-20,24,30H,16-18H2,1-4H3,(H,31,35)/t20-,24-/m0/s1
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n/an/a 611n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM239257
PNG
(US10053431, 96i)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C32H31FN4O3/c1-20-12-13-22-8-4-5-9-25(22)26(20)18-36-28-10-6-7-11-29(28)37(31(39)23-14-16-24(33)17-15-23)19-27(32(36)40)35-30(38)21(2)34-3/h4-17,21,27,34H,18-19H2,1-3H3,(H,35,38)/t21-,27-/m0/s1
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n/an/a 30n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM239258
PNG
((S)-2-Methylamino-N—((S)-1-naphthalen-1-ylmet...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccccc2)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C32H32N4O3/c1-22(33-2)31(38)34-27-21-35(30(37)19-23-11-4-3-5-12-23)28-17-8-9-18-29(28)36(32(27)39)20-25-15-10-14-24-13-6-7-16-26(24)25/h3-18,22,27,33H,19-21H2,1-2H3,(H,34,38)/t22-,27-/m0/s1
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n/an/a 409n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM239313
PNG
(US10053431, 96j | US10053431, 96k)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(N)c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C32H33N5O3/c1-20-15-16-22-9-4-5-12-25(22)26(20)18-36-28-13-6-7-14-29(28)37(31(39)23-10-8-11-24(33)17-23)19-27(32(36)40)35-30(38)21(2)34-3/h4-17,21,27,34H,18-19,33H2,1-3H3,(H,35,38)/t21-,27-/m0/s1
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n/an/a 29n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441805
PNG
(CHEMBL2436322 | US10053431, 5)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C25H28N4O2/c1-17(26-2)24(30)27-21-16-28(3)22-13-6-7-14-23(22)29(25(21)31)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-14,17,21,26H,15-16H2,1-3H3,(H,27,30)/t17-,21-/m0/s1
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n/an/a 4.36E+3n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM239313
PNG
(US10053431, 96j | US10053431, 96k)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(N)c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C32H33N5O3/c1-20-15-16-22-9-4-5-12-25(22)26(20)18-36-28-13-6-7-14-29(28)37(31(39)23-10-8-11-24(33)17-23)19-27(32(36)40)35-30(38)21(2)34-3/h4-17,21,27,34H,18-19,33H2,1-3H3,(H,35,38)/t21-,27-/m0/s1
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n/an/a 38n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441804
PNG
(CHEMBL2436323 | US10053431, 6)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CCC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C29H36N4O2/c1-20(2)16-17-32-19-25(31-28(34)21(3)30-4)29(35)33(27-15-8-7-14-26(27)32)18-23-12-9-11-22-10-5-6-13-24(22)23/h5-15,20-21,25,30H,16-19H2,1-4H3,(H,31,34)/t21-,25-/m0/s1
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n/an/a 2.62E+3n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM239390
PNG
(US10053431, 96l)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(OC)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C33H34N4O4/c1-21-13-14-23-9-5-6-10-26(23)27(21)19-36-29-11-7-8-12-30(29)37(32(39)24-15-17-25(41-4)18-16-24)20-28(33(36)40)35-31(38)22(2)34-3/h5-18,22,28,34H,19-20H2,1-4H3,(H,35,38)/t22-,28-/m0/s1
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n/an/a 37n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM239419
PNG
((S)-2-Methylamino-N—((S)-1-naphthalen-1-ylmet...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CCc2ccccc2)c2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C32H34N4O2/c1-23(33-2)31(37)34-28-22-35(20-19-24-11-4-3-5-12-24)29-17-8-9-18-30(29)36(32(28)38)21-26-15-10-14-25-13-6-7-16-27(25)26/h3-18,23,28,33H,19-22H2,1-2H3,(H,34,37)/t23-,28-/m0/s1
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n/an/a 1.56E+3n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM239445
PNG
(US10053431, 98b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)NC
Show InChI InChI=1S/C26H31N5O4S/c1-17-13-14-19-9-5-6-10-20(19)21(17)15-30-23-11-7-8-12-24(23)31(36(34,35)28-4)16-22(26(30)33)29-25(32)18(2)27-3/h5-14,18,22,27-28H,15-16H2,1-4H3,(H,29,32)/t18-,22-/m0/s1
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n/an/a 188n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM50441797
PNG
(CHEMBL2436327 | US10053431, 8)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C30H36N4O3/c1-19(2)16-28(35)33-18-25(32-29(36)21(4)31-5)30(37)34(27-13-9-8-12-26(27)33)17-24-20(3)14-15-22-10-6-7-11-23(22)24/h6-15,19,21,25,31H,16-18H2,1-5H3,(H,32,36)/t21-,25-/m0/s1
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n/an/a 383n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM239516
PNG
(US10053431, 98c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C33H34N4O5S/c1-21-13-14-25-9-5-6-10-27(25)28(21)19-36-30-11-7-8-12-31(30)37(20-29(33(36)40)35-32(39)22(2)34-4)43(41,42)26-17-15-24(16-18-26)23(3)38/h5-18,22,29,34H,19-20H2,1-4H3,(H,35,39)/t22-,29-/m0/s1
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n/an/a 204n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM240239
PNG
((S)-2-Methylamino-N—[(S)-1-(2-methyl-naphthal...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccncc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C31H31N5O3/c1-20-12-13-22-8-4-5-9-24(22)25(20)18-35-27-10-6-7-11-28(27)36(30(38)23-14-16-33-17-15-23)19-26(31(35)39)34-29(37)21(2)32-3/h4-17,21,26,32H,18-19H2,1-3H3,(H,34,37)/t21-,26-/m0/s1
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PC sid
UniChem
US Patent
n/an/a 520n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM241189
PNG
(US10053431, 98d)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H31N5O6S/c1-20-12-13-22-8-4-5-9-25(22)26(20)18-34-28-10-6-7-11-29(28)35(19-27(31(34)38)33-30(37)21(2)32-3)43(41,42)24-16-14-23(15-17-24)36(39)40/h4-17,21,27,32H,18-19H2,1-3H3,(H,33,37)/t21-,27-/m0/s1
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UniChem
US Patent
n/an/a 182n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM241191
PNG
((S)—N—[(S)-5-[2-(2-methoxy-ethoxy)-acety...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)COCCOC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C30H36N4O5/c1-20-13-14-22-9-5-6-10-23(22)24(20)17-34-27-12-8-7-11-26(27)33(28(35)19-39-16-15-38-4)18-25(30(34)37)32-29(36)21(2)31-3/h5-14,21,25,31H,15-19H2,1-4H3,(H,32,36)/t21-,25-/m0/s1
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PC sid
UniChem
US Patent
n/an/a 364n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM241212
PNG
(US10053431, 98e)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H32N4O4S/c1-21-17-18-23-11-7-8-14-25(23)26(21)19-34-28-15-9-10-16-29(28)35(40(38,39)24-12-5-4-6-13-24)20-27(31(34)37)33-30(36)22(2)32-3/h4-18,22,27,32H,19-20H2,1-3H3,(H,33,36)/t22-,27-/m0/s1
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PC sid
UniChem
US Patent
n/an/a 133n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM241258
PNG
((S)—N—[(S)-5-(2-Carbamoyl-acetyl)-1-(2-m...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(N)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C28H31N5O4/c1-17-12-13-19-8-4-5-9-20(19)21(17)15-33-24-11-7-6-10-23(24)32(26(35)14-25(29)34)16-22(28(33)37)31-27(36)18(2)30-3/h4-13,18,22,30H,14-16H2,1-3H3,(H2,29,34)(H,31,36)/t18-,22-/m0/s1
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PC sid
UniChem
US Patent
n/an/a 426n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM241366
PNG
(US10053431, 98f)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C32H34N4O5S/c1-21-13-14-23-9-5-6-10-26(23)27(21)19-35-29-11-7-8-12-30(29)36(20-28(32(35)38)34-31(37)22(2)33-3)42(39,40)25-17-15-24(41-4)16-18-25/h5-18,22,28,33H,19-20H2,1-4H3,(H,34,37)/t22-,28-/m0/s1
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UniChem
US Patent
n/an/a 177n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM241602
PNG
((S)-2-methylamino-N—{(S)-1(2-methyl-naphthale...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CN2CCN(C)CC2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C32H40N6O3/c1-22-13-14-24-9-5-6-10-25(24)26(22)19-38-29-12-8-7-11-28(29)37(30(39)21-36-17-15-35(4)16-18-36)20-27(32(38)41)34-31(40)23(2)33-3/h5-14,23,27,33H,15-21H2,1-4H3,(H,34,40)/t23-,27-/m0/s1
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PC sid
UniChem
US Patent
n/an/a 820n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM241607
PNG
((2S)-N-((3S)-1-((6-bromo-2- methoxynaphthalen-1-yl...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C34H35BrN4O5/c1-20(36-3)32(41)37-28-19-39(33(42)23-11-9-22(10-12-23)21(2)40)30-8-6-5-7-29(30)38(34(28)43)18-27-26-15-14-25(35)17-24(26)13-16-31(27)44-4/h5-17,20-21,28,36,40H,18-19H2,1-4H3,(H,37,41)/t20-,21?,28-/m0/s1
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UniChem
US Patent
n/an/a 9.14n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


()
BDBM241615
PNG
((S)—N—[(S)-5-{2-[2-(2-Methoxy-ethoxy)-et...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)COCCOCCOC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C32H40N4O6/c1-22-13-14-24-9-5-6-10-25(24)26(22)19-36-29-12-8-7-11-28(29)35(30(37)21-42-18-17-41-16-15-40-4)20-27(32(36)39)34-31(38)23(2)33-3/h5-14,23,27,33H,15-21H2,1-4H3,(H,34,38)/t23-,27-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 234n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
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