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Patent code US9394263

Compile Data Set for Download or QSAR

Found 237 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
XIAP protein BIR2


(Artificial Sequence)
BDBM237669
PNG
(US9394263, 82)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H28BrN3O4/c1-4-20(28-2)25(31)29-21-15-34-24-8-6-5-7-22(24)30(26(21)32)14-19-18-11-10-17(27)13-16(18)9-12-23(19)33-3/h5-13,20-21,28H,4,14-15H2,1-3H3,(H,29,31)/t20-,21-/m0/s1
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US Patent
n/an/a 14n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237645
PNG
(US9394263, 57)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(Cl)n(-c3ccccc3C#N)c3ccccc23)C1=O
Show InChI InChI=1S/C29H26ClN5O3/c1-18(32-2)28(36)33-22-17-38-26-14-8-7-13-25(26)34(29(22)37)16-21-20-10-4-6-12-24(20)35(27(21)30)23-11-5-3-9-19(23)15-31/h3-14,18,22,32H,16-17H2,1-2H3,(H,33,36)/t18-,22-/m0/s1
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US Patent
n/an/a 15n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237653
PNG
(US9394263, 65)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3n(c(cc23)C#N)-c2ccccc2C#N)C1=O
Show InChI InChI=1S/C30H26N6O3/c1-19(33-2)29(37)34-24-18-39-28-13-6-5-11-27(28)35(30(24)38)17-21-9-7-12-26-23(21)14-22(16-32)36(26)25-10-4-3-8-20(25)15-31/h3-14,19,24,33H,17-18H2,1-2H3,(H,34,37)/t19-,24-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237579
PNG
(US9394263, 1a' | US9394263, 1b')
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2O[C@@]11CCOC1
Show InChI InChI=1S/C28H30BrN3O5/c1-17(30-2)26(33)31-25-27(34)32(22-6-4-5-7-24(22)37-28(25)12-13-36-16-28)15-21-20-10-9-19(29)14-18(20)8-11-23(21)35-3/h4-11,14,17,25,30H,12-13,15-16H2,1-3H3,(H,31,33)/t17-,25+,28+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237677
PNG
(US9394263, 92)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2c(C)cccc2N(Cc2c(OC)ccc3cc(C)ccc23)C1=O
Show InChI InChI=1S/C27H31N3O4/c1-16-9-11-20-19(13-16)10-12-24(33-5)21(20)14-30-23-8-6-7-17(2)25(23)34-15-22(27(30)32)29-26(31)18(3)28-4/h6-13,18,22,28H,14-15H2,1-5H3,(H,29,31)/t18-,22-/m0/s1
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US Patent
n/an/a 27n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237582
PNG
(US9394263, 1d')
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1CC(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2O[C@H]1C
Show InChI InChI=1S/C27H31BrN2O3/c1-16(29-3)27(31)30-24-15-18(19-8-5-6-11-26(19)33-17(24)2)14-22-20-9-7-10-23(28)21(20)12-13-25(22)32-4/h5-13,16-18,24,29H,14-15H2,1-4H3,(H,30,31)/t16-,17-,18?,24+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237663
PNG
(US9394263, 76)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2ccccc2N(Cc2cccc3n(c(cc23)C#N)-c2ccccc2C#N)C1=O
Show InChI InChI=1S/C31H28N6O3/c1-19(34-3)30(38)35-29-20(2)40-28-14-7-6-12-27(28)36(31(29)39)18-22-10-8-13-26-24(22)15-23(17-33)37(26)25-11-5-4-9-21(25)16-32/h4-15,19-20,29,34H,18H2,1-3H3,(H,35,38)/t19-,20-,29-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237660
PNG
(US9394263, 73)
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3n(c(cc23)C#N)-c2ccccc2C#N)c2ccccc2OC11CCOCC1
Show InChI InChI=1S/C34H32N6O4/c1-22(37-2)32(41)38-31-33(42)39(29-11-5-6-13-30(29)44-34(31)14-16-43-17-15-34)21-24-9-7-12-28-26(24)18-25(20-36)40(28)27-10-4-3-8-23(27)19-35/h3-13,18,22,31,37H,14-17,21H2,1-2H3,(H,38,41)/t22-,31+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237672
PNG
(US9394263, 87)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2c(F)cccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C25H25BrFN3O4/c1-14(28-2)24(31)29-20-13-34-23-19(27)5-4-6-21(23)30(25(20)32)12-18-17-9-8-16(26)11-15(17)7-10-22(18)33-3/h4-11,14,20,28H,12-13H2,1-3H3,(H,29,31)/t14-,20-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237566
PNG
(US9394263, 1L)
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2O[C@@]1(C)COC
Show InChI InChI=1S/C28H32BrN3O5/c1-17(30-3)26(33)31-25-27(34)32(22-8-6-7-9-24(22)37-28(25,2)16-35-4)15-21-20-12-11-19(29)14-18(20)10-13-23(21)36-5/h6-14,17,25,30H,15-16H2,1-5H3,(H,31,33)/t17-,25+,28-/m0/s1
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US Patent
n/an/a 42n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237670
PNG
(US9394263, 83)
Show SMILES CC[C@H](NCCO)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C27H30BrN3O5/c1-3-21(29-12-13-32)26(33)30-22-16-36-25-7-5-4-6-23(25)31(27(22)34)15-20-19-10-9-18(28)14-17(19)8-11-24(20)35-2/h4-11,14,21-22,29,32H,3,12-13,15-16H2,1-2H3,(H,30,33)/t21-,22-/m0/s1
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US Patent
n/an/a 44n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237647
PNG
(US9394263, 59)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(Cl)n(c3ccccc23)S(=O)(=O)c2ccccc2)C1=O
Show InChI InChI=1S/C28H27ClN4O5S/c1-18(30-2)27(34)31-22-17-38-25-15-9-8-14-24(25)32(28(22)35)16-21-20-12-6-7-13-23(20)33(26(21)29)39(36,37)19-10-4-3-5-11-19/h3-15,18,22,30H,16-17H2,1-2H3,(H,31,34)/t18-,22-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237673
PNG
(US9394263, 88)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(F)(F)F)N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H25BrF3N3O4/c1-14(31-2)24(34)32-20-13-37-23-19(26(28,29)30)5-4-6-21(23)33(25(20)35)12-18-17-9-8-16(27)11-15(17)7-10-22(18)36-3/h4-11,14,20,31H,12-13H2,1-3H3,(H,32,34)/t14-,20-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237627
PNG
(US9394263, 39)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2cc(C)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C27H30BrN3O4/c1-15-6-10-22-24(12-15)35-17(3)25(30-26(32)16(2)29-4)27(33)31(22)14-21-20-9-8-19(28)13-18(20)7-11-23(21)34-5/h6-13,16-17,25,29H,14H2,1-5H3,(H,30,32)/t16-,17-,25-/m0/s1
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US Patent
n/an/a 54n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237569
PNG
(US9394263, 1o)
Show SMILES COc1ccc2cc(Br)ccc2c1CN1c2ccccc2OC2(CCOCC2)[C@H](NC(=O)[C@@H](N)[C@H](C)O)C1=O
Show InChI InChI=1S/C29H32BrN3O6/c1-17(34)25(31)27(35)32-26-28(36)33(16-21-20-9-8-19(30)15-18(20)7-10-23(21)37-2)22-5-3-4-6-24(22)39-29(26)11-13-38-14-12-29/h3-10,15,17,25-26,34H,11-14,16,31H2,1-2H3,(H,32,35)/t17-,25-,26+/m0/s1
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n/an/a 54n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237563
PNG
(US9394263, 1i)
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC1(C)CSC
Show InChI InChI=1S/C28H32BrN3O4S/c1-17(30-3)26(33)31-25-27(34)32(22-8-6-7-9-24(22)36-28(25,2)16-37-5)15-21-20-12-11-19(29)14-18(20)10-13-23(21)35-4/h6-14,17,25,30H,15-16H2,1-5H3,(H,31,33)/t17-,25+,28?/m0/s1
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n/an/a 54n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237620
PNG
(US9394263, 32)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O
Show InChI InChI=1S/C26H27N3O6/c1-15(27-2)24(30)28-20-14-35-23-7-5-4-6-21(23)29(25(20)31)13-19-18-10-8-17(26(32)33)12-16(18)9-11-22(19)34-3/h4-12,15,20,27H,13-14H2,1-3H3,(H,28,30)(H,32,33)/t15-,20-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237564
PNG
(US9394263, 1j)
Show SMILES CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCCOC1
Show InChI InChI=1S/C29H32BrN3O5/c1-18(31-2)27(34)32-26-28(35)33(16-22-21-11-10-20(30)15-19(21)9-12-24(22)36-3)23-7-4-5-8-25(23)38-29(26)13-6-14-37-17-29/h4-5,7-12,15,18,26,31H,6,13-14,16-17H2,1-3H3,(H,32,34)/t18-,26?,29?/m0/s1
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n/an/a 56n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237562
PNG
(US9394263, 1h)
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11COC1
Show InChI InChI=1S/C27H28BrN3O5/c1-16(29-2)25(32)30-24-26(33)31(21-6-4-5-7-23(21)36-27(24)14-35-15-27)13-20-19-10-9-18(28)12-17(19)8-11-22(20)34-3/h4-12,16,24,29H,13-15H2,1-3H3,(H,30,32)/t16-,24+/m0/s1
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US Patent
n/an/a 57n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237630
PNG
(US9394263, 42)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2ccc(cc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O)C(F)(F)F
Show InChI InChI=1S/C26H25BrF3N3O4/c1-14(31-2)24(34)32-20-13-37-23-9-5-16(26(28,29)30)11-21(23)33(25(20)35)12-19-18-7-6-17(27)10-15(18)4-8-22(19)36-3/h4-11,14,20,31H,12-13H2,1-3H3,(H,32,34)/t14-,20-/m0/s1
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PC sid
UniChem
US Patent
n/an/a 57n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237640
PNG
(US9394263, 52)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(O)=O)N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O
Show InChI InChI=1S/C27H27N3O8/c1-14(28-2)24(31)29-20-13-38-23-18(27(35)36)5-4-6-21(23)30(25(20)32)12-19-17-9-7-16(26(33)34)11-15(17)8-10-22(19)37-3/h4-11,14,20,28H,12-13H2,1-3H3,(H,29,31)(H,33,34)(H,35,36)/t14-,20-/m0/s1
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UniChem
US Patent
n/an/a 59n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM50441341
PNG
(CHEMBL2431766 | US9394263, 1g)
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCOCC1
Show InChI InChI=1S/C29H32BrN3O5/c1-18(31-2)27(34)32-26-28(35)33(17-22-21-10-9-20(30)16-19(21)8-11-24(22)36-3)23-6-4-5-7-25(23)38-29(26)12-14-37-15-13-29/h4-11,16,18,26,31H,12-15,17H2,1-3H3,(H,32,34)/t18-,26+/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237665
PNG
(US9394263, 78)
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3n(ncc23)-c2ccccc2C#N)c2ccc(Br)cc2OC11CCOCC1
Show InChI InChI=1S/C32H31BrN6O4/c1-20(35-2)30(40)37-29-31(41)38(27-11-10-23(33)16-28(27)43-32(29)12-14-42-15-13-32)19-22-7-5-9-26-24(22)18-36-39(26)25-8-4-3-6-21(25)17-34/h3-11,16,18,20,29,35H,12-15,19H2,1-2H3,(H,37,40)/t20-,29+/m0/s1
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n/an/a 67n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237652
PNG
(US9394263, 64)
Show SMILES C[C@H](N)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3n(ncc23)-c2ccccc2C#N)C1=O
Show InChI InChI=1S/C27H24N6O3/c1-17(29)26(34)31-21-16-36-25-12-5-4-10-24(25)32(27(21)35)15-19-8-6-11-23-20(19)14-30-33(23)22-9-3-2-7-18(22)13-28/h2-12,14,17,21H,15-16,29H2,1H3,(H,31,34)/t17-,21-/m0/s1
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n/an/a 69n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237568
PNG
(US9394263, 1n)
Show SMILES CC[C@H](N)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCCOC1
Show InChI InChI=1S/C29H32BrN3O5/c1-3-22(31)27(34)32-26-28(35)33(16-21-20-11-10-19(30)15-18(20)9-12-24(21)36-2)23-7-4-5-8-25(23)38-29(26)13-6-14-37-17-29/h4-5,7-12,15,22,26H,3,6,13-14,16-17,31H2,1-2H3,(H,32,34)/t22-,26?,29?/m0/s1
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n/an/a 70n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237626
PNG
(US9394263, 38)
Show SMILES COc1ccc2cc(Br)ccc2c1CN1c2ccc(C)cc2OC[C@H](NC(=O)[C@@H](N)[C@H](C)O)C1=O
Show InChI InChI=1S/C26H28BrN3O5/c1-14-4-8-21-23(10-14)35-13-20(29-25(32)24(28)15(2)31)26(33)30(21)12-19-18-7-6-17(27)11-16(18)5-9-22(19)34-3/h4-11,15,20,24,31H,12-13,28H2,1-3H3,(H,29,32)/t15-,20-,24-/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237628
PNG
(US9394263, 40)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2cc(C)ccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O
Show InChI InChI=1S/C29H33N3O6/c1-16-7-11-23-25(13-16)38-18(3)26(31-27(33)17(2)30-4)28(34)32(23)15-22-21-10-8-20(29(35)37-6)14-19(21)9-12-24(22)36-5/h7-14,17-18,26,30H,15H2,1-6H3,(H,31,33)/t17-,18-,26-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237624
PNG
(US9394263, 36)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2cc(C)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H28BrN3O4/c1-15-5-9-22-24(11-15)34-14-21(29-25(31)16(2)28-3)26(32)30(22)13-20-19-8-7-18(27)12-17(19)6-10-23(20)33-4/h5-12,16,21,28H,13-14H2,1-4H3,(H,29,31)/t16-,21-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237629
PNG
(US9394263, 41)
Show SMILES CN[C@@H]([C@H](C)O)C(=O)N[C@H]1[C@H](C)Oc2cc(C)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C28H32BrN3O5/c1-15-6-10-22-24(12-15)37-17(3)26(31-27(34)25(30-4)16(2)33)28(35)32(22)14-21-20-9-8-19(29)13-18(20)7-11-23(21)36-5/h6-13,16-17,25-26,30,33H,14H2,1-5H3,(H,31,34)/t16-,17-,25-,26-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237581
PNG
(US9394263, 1c')
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2OC11CCOCC1
Show InChI InChI=1S/C29H32BrN3O5/c1-18(31-2)27(34)32-26-28(35)33(17-21-19-7-6-8-22(30)20(19)11-12-24(21)36-3)23-9-4-5-10-25(23)38-29(26)13-15-37-16-14-29/h4-12,18,26,31H,13-17H2,1-3H3,(H,32,34)/t18-,26+/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237636
PNG
(US9394263, 48)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(O)=O)N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H26BrN3O6/c1-14(28-2)24(31)29-20-13-36-23-18(26(33)34)5-4-6-21(23)30(25(20)32)12-19-17-9-8-16(27)11-15(17)7-10-22(19)35-3/h4-11,14,20,28H,12-13H2,1-3H3,(H,29,31)(H,33,34)/t14-,20-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237641
PNG
(US9394263, 53)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(=O)N(C)CCO)N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O
Show InChI InChI=1S/C30H34N4O8/c1-17(31-2)27(36)32-23-16-42-26-21(28(37)33(3)12-13-35)6-5-7-24(26)34(29(23)38)15-22-20-10-8-19(30(39)40)14-18(20)9-11-25(22)41-4/h5-11,14,17,23,31,35H,12-13,15-16H2,1-4H3,(H,32,36)(H,39,40)/t17-,23-/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237631
PNG
(US9394263, 43)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2ccc(cc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O)C(F)(F)F
Show InChI InChI=1S/C27H27BrF3N3O4/c1-14(32-3)25(35)33-24-15(2)38-23-10-6-17(27(29,30)31)12-21(23)34(26(24)36)13-20-19-8-7-18(28)11-16(19)5-9-22(20)37-4/h5-12,14-15,24,32H,13H2,1-4H3,(H,33,35)/t14-,15-,24-/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM50441342
PNG
(CHEMBL2431765 | US9394263, 29)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C25H26BrN3O4/c1-15(27-2)24(30)28-20-14-33-23-7-5-4-6-21(23)29(25(20)31)13-19-18-10-9-17(26)12-16(18)8-11-22(19)32-3/h4-12,15,20,27H,13-14H2,1-3H3,(H,28,30)/t15-,20-/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237664
PNG
(US9394263, 77)
Show SMILES CCN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2ccccc2N(Cc2cccc3n(c(cc23)C#N)-c2ccccc2C#N)C1=O
Show InChI InChI=1S/C32H30N6O3/c1-4-35-20(2)31(39)36-30-21(3)41-29-15-8-7-13-28(29)37(32(30)40)19-23-11-9-14-27-25(23)16-24(18-34)38(27)26-12-6-5-10-22(26)17-33/h5-16,20-21,30,35H,4,19H2,1-3H3,(H,36,39)/t20-,21-,30-/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237656
PNG
(US9394263, 68)
Show SMILES C[C@H](NCCO)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3n(ncc23)-c2ccccc2C#N)C1=O
Show InChI InChI=1S/C29H28N6O4/c1-19(31-13-14-36)28(37)33-23-18-39-27-12-5-4-10-26(27)34(29(23)38)17-21-8-6-11-25-22(21)16-32-35(25)24-9-3-2-7-20(24)15-30/h2-12,16,19,23,31,36H,13-14,17-18H2,1H3,(H,33,37)/t19-,23-/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237667
PNG
(US9394263, 80)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2ccccc2N(Cc2cccc3n(ncc23)-c2ccc(cc2C#N)C(O)=O)C1=O
Show InChI InChI=1S/C30H28N6O5/c1-17(32-3)28(37)34-27-18(2)41-26-10-5-4-8-25(26)35(29(27)38)16-20-7-6-9-24-22(20)15-33-36(24)23-12-11-19(30(39)40)13-21(23)14-31/h4-13,15,17-18,27,32H,16H2,1-3H3,(H,34,37)(H,39,40)/t17-,18-,27-/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237676
PNG
(US9394263, 91)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2c(Br)cccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C25H26BrN3O3/c1-15-11-12-17-7-4-5-8-18(17)19(15)13-29-22-10-6-9-20(26)23(22)32-14-21(25(29)31)28-24(30)16(2)27-3/h4-12,16,21,27H,13-14H2,1-3H3,(H,28,30)/t16-,21-/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237668
PNG
(US9394263, 81)
Show SMILES CCNC(=O)c1ccc(c(c1)C#N)-n1ncc2c(CN3c4ccccc4O[C@@H](C)[C@H](NC(=O)[C@H](C)NC)C3=O)cccc12
Show InChI InChI=1S/C32H33N7O4/c1-5-35-31(41)21-13-14-25(23(15-21)16-33)39-26-11-8-9-22(24(26)17-36-39)18-38-27-10-6-7-12-28(27)43-20(3)29(32(38)42)37-30(40)19(2)34-4/h6-15,17,19-20,29,34H,5,18H2,1-4H3,(H,35,41)(H,37,40)/t19-,20-,29-/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237638
PNG
(US9394263, 50)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(=O)NCCC(O)=O)N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C29H31BrN4O7/c1-16(31-2)27(37)33-22-15-41-26-20(28(38)32-12-11-25(35)36)5-4-6-23(26)34(29(22)39)14-21-19-9-8-18(30)13-17(19)7-10-24(21)40-3/h4-10,13,16,22,31H,11-12,14-15H2,1-3H3,(H,32,38)(H,33,37)(H,35,36)/t16-,22-/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM50441337
PNG
(CHEMBL2431752 | US9394263, 1r)
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)cnc3ccccc23)c2ccccc2OC11CCOCC1
Show InChI InChI=1S/C28H32N4O5/c1-18(29-2)26(33)31-25-27(34)32(17-20-19-8-4-5-9-21(19)30-16-24(20)35-3)22-10-6-7-11-23(22)37-28(25)12-14-36-15-13-28/h4-11,16,18,25,29H,12-15,17H2,1-3H3,(H,31,33)/t18-,25+/m0/s1
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F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237674
PNG
(US9394263, 89)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(F)(F)F)N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C26H26F3N3O3/c1-15-11-12-17-7-4-5-8-18(17)19(15)13-32-22-10-6-9-20(26(27,28)29)23(22)35-14-21(25(32)34)31-24(33)16(2)30-3/h4-12,16,21,30H,13-14H2,1-3H3,(H,31,33)/t16-,21-/m0/s1
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n/an/a 142n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237661
PNG
(US9394263, 74)
Show SMILES CCN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2ccccc2N(Cc2cccc3n(ncc23)-c2ccccc2C#N)C1=O
Show InChI InChI=1S/C30H30N6O3/c1-4-32-19(2)29(37)34-28-20(3)39-27-15-8-7-13-26(27)35(30(28)38)18-22-11-9-14-25-23(22)17-33-36(25)24-12-6-5-10-21(24)16-31/h5-15,17,19-20,28,32H,4,18H2,1-3H3,(H,34,37)/t19-,20-,28-/m0/s1
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US Patent
n/an/a 146n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237666
PNG
(US9394263, 79)
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2nn(-c3ccccc3C#N)c3ccccc23)c2ccc(cc2OC11CCOCC1)C#N
Show InChI InChI=1S/C33H31N7O4/c1-21(36-2)31(41)37-30-32(42)39(28-12-11-22(18-34)17-29(28)44-33(30)13-15-43-16-14-33)20-25-24-8-4-6-10-27(24)40(38-25)26-9-5-3-7-23(26)19-35/h3-12,17,21,30,36H,13-16,20H2,1-2H3,(H,37,41)/t21-,30+/m0/s1
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n/an/a 151n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237556
PNG
(US9394263, 1a)
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC1(C)C
Show InChI InChI=1S/C27H30BrN3O4/c1-16(29-4)25(32)30-24-26(33)31(21-8-6-7-9-23(21)35-27(24,2)3)15-20-19-12-11-18(28)14-17(19)10-13-22(20)34-5/h6-14,16,24,29H,15H2,1-5H3,(H,30,32)/t16-,24+/m0/s1
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US Patent
n/an/a 152n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237637
PNG
(US9394263, 49)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(O)=O)N(Cc2c(OC)ccc3ccccc23)C1=O
Show InChI InChI=1S/C26H27N3O6/c1-15(27-2)24(30)28-20-14-35-23-18(26(32)33)9-6-10-21(23)29(25(20)31)13-19-17-8-5-4-7-16(17)11-12-22(19)34-3/h4-12,15,20,27H,13-14H2,1-3H3,(H,28,30)(H,32,33)/t15-,20-/m0/s1
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n/an/a 164n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237650
PNG
(US9394263, 62)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(Cl)n(Cc3ccccc3)c3ccccc23)C1=O
Show InChI InChI=1S/C29H29ClN4O3/c1-19(31-2)28(35)32-23-18-37-26-15-9-8-14-25(26)34(29(23)36)17-22-21-12-6-7-13-24(21)33(27(22)30)16-20-10-4-3-5-11-20/h3-15,19,23,31H,16-18H2,1-2H3,(H,32,35)/t19-,23-/m0/s1
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US Patent
n/an/a 167n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237679
PNG
(US9394263, 70)
Show SMILES CCN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3n(ncc23)-c2ccccc2C#N)C1=O
Show InChI InChI=1S/C29H28N6O3/c1-3-31-19(2)28(36)33-23-18-38-27-14-7-6-12-26(27)34(29(23)37)17-21-10-8-13-25-22(21)16-32-35(25)24-11-5-4-9-20(24)15-30/h4-14,16,19,23,31H,3,17-18H2,1-2H3,(H,33,36)/t19-,23-/m0/s1
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n/an/a 183n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237657
PNG
(US9394263, 69)
Show SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3n(ncc23)-c2ccccc2C#N)c2ccccc2OC11CCOCC1
Show InChI InChI=1S/C32H32N6O4/c1-21(34-2)30(39)36-29-31(40)37(27-11-5-6-13-28(27)42-32(29)14-16-41-17-15-32)20-23-9-7-12-26-24(23)19-35-38(26)25-10-4-3-8-22(25)18-33/h3-13,19,21,29,34H,14-17,20H2,1-2H3,(H,36,39)/t21-,29+/m0/s1
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n/an/a 183n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM237619
PNG
(US9394263, 31)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O
Show InChI InChI=1S/C27H29N3O6/c1-16(28-2)25(31)29-21-15-36-24-8-6-5-7-22(24)30(26(21)32)14-20-19-11-9-18(27(33)35-4)13-17(19)10-12-23(20)34-3/h5-13,16,21,28H,14-15H2,1-4H3,(H,29,31)/t16-,21-/m0/s1
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n/an/a 189n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%