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Compile Data Set for Download or QSAR

Found 257 hits of ph data with Target = '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
BIR3


()
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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US Patent
n/an/a>5.48E+4n/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
BIR3


()
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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US Patent
n/an/a 4.48E+4n/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
BIR3


()
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>5.48E+4n/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
BIR3


()
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 1.36E+4n/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
BIR3


()
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>5.48E+4n/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
BIR3


()
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 4.80E+4n/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
BIR3


()
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>5.40E+4n/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
BIR3


()
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 2.46E+4n/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
BIR3


()
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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US Patent
n/an/a>5.40E+4n/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
BIR3


()
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 3.23E+4n/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
BIR3


()
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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US Patent
n/an/a>5.40E+4n/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
BIR3


()
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>5.48E+4n/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
BIR3


()
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>5.40E+4n/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
BIR3


()
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>5.48E+4n/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
BIR3


()
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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US Patent
n/an/a>5.48E+4n/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
BIR3


()
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 2.98E+4n/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
BIR3


()
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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n/an/a>5.48E+4n/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
BIR3


()
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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n/an/a 2.90E+4n/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
BIR3


()
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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n/an/a>5.48E+4n/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
BIR3


()
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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n/an/a 3.16E+4n/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
BIR3


()
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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n/an/a>5.48E+4n/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
BIR3


()
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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n/an/a>5.00E+4n/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
BIR3


()
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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n/an/a>5.48E+4n/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
BIR3


()
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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n/an/a 4.11E+4n/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
BIR3


()
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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n/an/a>5.48E+4n/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
BIR3


()
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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n/an/a 4.74E+4n/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
BIR3


()
BDBM241648
PNG
((S)—N—[(S)-5-acetyl-1-(2-methyl-naphthal...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C27H30N4O3/c1-17-13-14-20-9-5-6-10-21(20)22(17)15-31-25-12-8-7-11-24(25)30(19(3)32)16-23(27(31)34)29-26(33)18(2)28-4/h5-14,18,23,28H,15-16H2,1-4H3,(H,29,33)/t18-,23-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM241649
PNG
((2S)-N-[(3S)-1-(4-acetylbenzoyl)-5-[2- (naphthalen...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(CC(=O)Nc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C34H33N5O5/c1-21(35-3)32(42)37-28-19-38(33(43)25-17-15-23(16-18-25)22(2)40)29-13-6-7-14-30(29)39(34(28)44)20-31(41)36-27-12-8-10-24-9-4-5-11-26(24)27/h4-18,21,28,35H,19-20H2,1-3H3,(H,36,41)(H,37,42)/t21-,28-/m0/s1
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n/an/a 4.61E+4n/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
BIR3


()
BDBM241657
PNG
(5-[(S)-3-((S)-2-Methylamino-propionylamino)-5-(2-m...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCC(O)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C30H34N4O5/c1-19-15-16-21-9-4-5-10-22(21)23(19)17-34-26-12-7-6-11-25(26)33(27(35)13-8-14-28(36)37)18-24(30(34)39)32-29(38)20(2)31-3/h4-7,9-12,15-16,20,24,31H,8,13-14,17-18H2,1-3H3,(H,32,38)(H,36,37)/t20-,24-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM241658
PNG
((25)-N-[(35)-1-(4-acetylbenzoyl)-4-oxo-5- [2-oxo-2...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(CC(=O)Nc2nccs2)C1=O
Show InChI InChI=1S/C27H28N6O5S/c1-16(28-3)24(36)30-20-14-32(25(37)19-10-8-18(9-11-19)17(2)34)21-6-4-5-7-22(21)33(26(20)38)15-23(35)31-27-29-12-13-39-27/h4-13,16,20,28H,14-15H2,1-3H3,(H,30,36)(H,29,31,35)/t16-,20-/m0/s1
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n/an/a>5.15E+4n/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
BIR3


()
BDBM241671
PNG
(4-[(S)-3-((S)-2-Methylamino-propionylamino)-5-(2-m...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCC(O)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C29H32N4O5/c1-18-12-13-20-8-4-5-9-21(20)22(18)16-33-25-11-7-6-10-24(25)32(26(34)14-15-27(35)36)17-23(29(33)38)31-28(37)19(2)30-3/h4-13,19,23,30H,14-17H2,1-3H3,(H,31,37)(H,35,36)/t19-,23-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM241672
PNG
((S)-N-((S)-1-((6-bromo-2- methoxynaphthalen-1-yl)m...)
Show SMILES CN[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccc(cc2)[N+]([O-])=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C33H32BrN5O6/c1-20(35-2)31(40)36(3)29-19-38(32(41)21-9-13-24(14-10-21)39(43)44)28-8-6-5-7-27(28)37(33(29)42)18-26-25-15-12-23(34)17-22(25)11-16-30(26)45-4/h5-17,20,29,35H,18-19H2,1-4H3/t20-,29-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM241682
PNG
((S)-3-((S)-2-Methylamino-propionylamino)-5-(2-meth...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C27H31N5O3/c1-17-13-14-19-9-5-6-10-20(19)21(17)15-31-23-11-7-8-12-24(23)32(27(35)29-4)16-22(26(31)34)30-25(33)18(2)28-3/h5-14,18,22,28H,15-16H2,1-4H3,(H,29,35)(H,30,33)/t18-,22-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM241683
PNG
(Cyclic-5-[(S)-5-(3-Amino-acetyl)-3-((S)-2- methyla...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN2c3ccccc3N(Cc3c(OC)ccc4cc(ccc34)C(=O)NCC2=O)C1=O
Show InChI InChI=1S/C28H29N5O5/c1-16(29-2)26(35)31-21-15-32-22-6-4-5-7-23(22)33(28(21)37)14-20-19-10-8-18(27(36)30-13-25(32)34)12-17(19)9-11-24(20)38-3/h4-12,16,21,29H,13-15H2,1-3H3,(H,30,36)(H,31,35)/t16-,21-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM241690
PNG
((S)—N—[(S)-5-Methanesulfonylmethanesulfo...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)CS(C)(=O)=O
Show InChI InChI=1S/C27H32N4O6S2/c1-18-13-14-20-9-5-6-10-21(20)22(18)15-30-24-11-7-8-12-25(24)31(39(36,37)17-38(4,34)35)16-23(27(30)33)29-26(32)19(2)28-3/h5-14,19,23,28H,15-17H2,1-4H3,(H,29,32)/t19-,23-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM241698
PNG
((2S)-N-[(3S)-1-(4-acetylbenzoyl)-5-[2- (1,3-benzot...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(CC(=O)Nc2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C31H30N6O5S/c1-18(32-3)28(40)33-23-16-36(29(41)21-14-12-20(13-15-21)19(2)38)24-9-5-6-10-25(24)37(30(23)42)17-27(39)35-31-34-22-8-4-7-11-26(22)43-31/h4-15,18,23,32H,16-17H2,1-3H3,(H,33,40)(H,34,35,39)/t18-,23-/m0/s1
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n/an/a 4.23E+4n/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
BIR3


()
BDBM241699
PNG
((S)—N—[(S)-5-methanesulfonyl-1-(2-methyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(C)(=O)=O
Show InChI InChI=1S/C26H30N4O4S/c1-17-13-14-19-9-5-6-10-20(19)21(17)15-29-23-11-7-8-12-24(23)30(35(4,33)34)16-22(26(29)32)28-25(31)18(2)27-3/h5-14,18,22,27H,15-16H2,1-4H3,(H,28,31)/t18-,22-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM241700
PNG
((2S)-N-[5-(1-adamantylmethyl)-1-[(2- methoxynaphth...)
Show SMILES CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O
Show InChI InChI=1S/C36H42N4O4/c1-22(37-2)33(41)38-32-34(42)39(20-28-27-9-5-4-8-26(27)12-13-31(28)44-3)29-10-6-7-11-30(29)40(35(32)43)21-36-17-23-14-24(18-36)16-25(15-23)19-36/h4-13,22-25,32,37H,14-21H2,1-3H3,(H,38,41)/t22-,23?,24?,25?,32?,36?/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM241701
PNG
(((S)-3-((S)-2-Methylamino-propionylamino)-5-(2-met...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)OC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C27H30N4O4/c1-17-13-14-19-9-5-6-10-20(19)21(17)15-30-23-11-7-8-12-24(23)31(27(34)35-4)16-22(26(30)33)29-25(32)18(2)28-3/h5-14,18,22,28H,15-16H2,1-4H3,(H,29,32)/t18-,22-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM242408
PNG
((2S)-N-[5-(1-adamantylmethyl)-1-[(2- methoxynaphth...)
Show SMILES COc1ccc2ccccc2c1CN1c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C(=O)C(NC(=O)[C@H](C)N)C1=O
Show InChI InChI=1S/C35H40N4O4/c1-21(36)32(40)37-31-33(41)38(19-27-26-8-4-3-7-25(26)11-12-30(27)43-2)28-9-5-6-10-29(28)39(34(31)42)20-35-16-22-13-23(17-35)15-24(14-22)18-35/h3-12,21-24,31H,13-20,36H2,1-2H3,(H,37,40)/t21-,22?,23?,24?,31?,35?/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM50441800
PNG
(CHEMBL2436324 | US10053431, 21)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C25H32N4O3/c1-17(2)14-23(30)28-16-20(27-24(31)18(3)26-4)25(32)29(15-19-10-6-5-7-11-19)22-13-9-8-12-21(22)28/h5-13,17-18,20,26H,14-16H2,1-4H3,(H,27,31)/t18-,20-/m0/s1
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US Patent
n/an/a>5.48E+4n/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
BIR3


()
BDBM242579
PNG
(Cyclic-5-[(S)-5-(3-Amino-pentanoyl)-3-((S)-2- meth...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN2c3ccccc3N(Cc3c(OC)ccc4cc(ccc34)C(=O)N(C)CCCC2=O)C1=O
Show InChI InChI=1S/C31H35N5O5/c1-19(32-2)29(38)33-24-18-35-25-8-5-6-9-26(25)36(31(24)40)17-23-22-13-11-21(16-20(22)12-14-27(23)41-4)30(39)34(3)15-7-10-28(35)37/h5-6,8-9,11-14,16,19,24,32H,7,10,15,17-18H2,1-4H3,(H,33,38)/t19-,24-/m0/s1
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n/an/a 4.12E+4n/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
BIR3


()
BDBM242580
PNG
((S)—N—[(S)-1-(2-Methoxy-benzyl)-5-(3-met...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2ccccc2OC)C1=O
Show InChI InChI=1S/C26H34N4O4/c1-17(2)14-24(31)29-16-20(28-25(32)18(3)27-4)26(33)30(22-12-8-7-11-21(22)29)15-19-10-6-9-13-23(19)34-5/h6-13,17-18,20,27H,14-16H2,1-5H3,(H,28,32)/t18-,20-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM242581
PNG
((2S)-N-[5-(1-adamantylmethyl)-1-[(2- methoxynaphth...)
Show SMILES CC[C@H](NC)C(=O)NC1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O
Show InChI InChI=1S/C37H44N4O4/c1-4-29(38-2)34(42)39-33-35(43)40(21-28-27-10-6-5-9-26(27)13-14-32(28)45-3)30-11-7-8-12-31(30)41(36(33)44)22-37-18-23-15-24(19-37)17-25(16-23)20-37/h5-14,23-25,29,33,38H,4,15-22H2,1-3H3,(H,39,42)/t23?,24?,25?,29-,33?,37?/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM50441799
PNG
(CHEMBL2436325 | US10053431, 23)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(CCc2ccccc2)C1=O
Show InChI InChI=1S/C26H34N4O3/c1-18(2)16-24(31)30-17-21(28-25(32)19(3)27-4)26(33)29(22-12-8-9-13-23(22)30)15-14-20-10-6-5-7-11-20/h5-13,18-19,21,27H,14-17H2,1-4H3,(H,28,32)/t19-,21-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM242583
PNG
((2S)-N-(1-methyl-5-((2- methylnaphthalen-1-yl)meth...)
Show SMILES CC[C@H](NC)C(=O)NC1C(=O)N(C)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C27H30N4O3/c1-5-21(28-3)25(32)29-24-26(33)30(4)22-12-8-9-13-23(22)31(27(24)34)16-20-17(2)14-15-18-10-6-7-11-19(18)20/h6-15,21,24,28H,5,16H2,1-4H3,(H,29,32)/t21-,24?/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM50441796
PNG
(CHEMBL2436328 | US10053431, 24)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
Show InChI InChI=1S/C30H36N4O4/c1-19(2)16-28(35)33-18-24(32-29(36)20(3)31-4)30(37)34(26-13-9-8-12-25(26)33)17-23-22-11-7-6-10-21(22)14-15-27(23)38-5/h6-15,19-20,24,31H,16-18H2,1-5H3,(H,32,36)/t20-,24-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM242585
PNG
((2S)-2-(methylamino)-N-(1-((2- methylnaphthalen-1-...)
Show SMILES CC[C@H](NC)C(=O)NC1C(=O)N(Cc2c(C)ccc3ccccc23)c2ccccc2N(c2ccccc2)C1=O
Show InChI InChI=1S/C32H32N4O3/c1-4-26(33-3)30(37)34-29-31(38)35(20-25-21(2)18-19-22-12-8-9-15-24(22)25)27-16-10-11-17-28(27)36(32(29)39)23-13-6-5-7-14-23/h5-19,26,29,33H,4,20H2,1-3H3,(H,34,37)/t26-,29?/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM50441798
PNG
(CHEMBL2436326 | US10053431, 25)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(C(C)c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C30H36N4O3/c1-19(2)17-28(35)33-18-25(32-29(36)20(3)31-5)30(37)34(27-16-9-8-15-26(27)33)21(4)23-14-10-12-22-11-6-7-13-24(22)23/h6-16,19-21,25,31H,17-18H2,1-5H3,(H,32,36)/t20-,21?,25-/m0/s1
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n/an/a>5.48E+4n/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
BIR3


()
BDBM242587
PNG
((2S)-2-(methylamino)-N-(1-((2- methylnaphthalen-1-...)
Show SMILES CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(C)ccc3ccccc23)c2ccccc2N(c2ccccc2)C1=O
Show InChI InChI=1S/C31H30N4O3/c1-20-17-18-22-11-7-8-14-24(22)25(20)19-34-26-15-9-10-16-27(26)35(23-12-5-4-6-13-23)31(38)28(30(34)37)33-29(36)21(2)32-3/h4-18,21,28,32H,19H2,1-3H3,(H,33,36)/t21-,28?/m0/s1
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n/an/a>5.48E+4n/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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