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Patent code US9611224

Compile Data Set for Download or QSAR

Found 350 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314194
PNG
((S)—N—((S)-1-((6-Bromo-2-methoxynaphthal...)
Show SMILES CC[C@H](NCCO)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C28H32BrN3O4/c1-3-23(30-14-15-33)27(34)31-24-12-8-18-6-4-5-7-25(18)32(28(24)35)17-22-21-11-10-20(29)16-19(21)9-13-26(22)36-2/h4-7,9-11,13,16,23-24,30,33H,3,8,12,14-15,17H2,1-2H3,(H,31,34)/t23-,24-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314316
PNG
((S)-N-[(S)-1-(3-Methoxy-quinolin-4-ylmethyl)-2-oxo...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O
Show InChI InChI=1S/C25H28N4O3/c1-16(26-2)24(30)28-21-13-12-17-8-4-7-11-22(17)29(25(21)31)15-19-18-9-5-6-10-20(18)27-14-23(19)32-3/h4-11,14,16,21,26H,12-13,15H2,1-3H3,(H,28,30)/t16-,21-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314173
PNG
((S)-2-amino-N—((S)-1-((3-methoxyquinolin-4-yl...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O
Show InChI InChI=1S/C25H28N4O3/c1-3-19(26)24(30)28-21-13-12-16-8-4-7-11-22(16)29(25(21)31)15-18-17-9-5-6-10-20(17)27-14-23(18)32-2/h4-11,14,19,21H,3,12-13,15,26H2,1-2H3,(H,28,30)/t19-,21-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314291
PNG
((S)-N-[(S)-1-(2-Ethynyl-naphthalen-1-ylmethyl)-2-o...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(ccc3ccccc23)C#C)C1=O
Show InChI InChI=1S/C27H27N3O2/c1-4-19-13-14-20-9-5-7-11-22(20)23(19)17-30-25-12-8-6-10-21(25)15-16-24(27(30)32)29-26(31)18(2)28-3/h1,5-14,18,24,28H,15-17H2,2-3H3,(H,29,31)/t18-,24-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314348
PNG
((S)-N-{(S)-1-[2-Methoxy-5-(propane-1-sulfonylamino...)
Show SMILES CCCS(=O)(=O)NC(=O)c1cccc2c(CN3c4ccccc4CC[C@H](NC(=O)[C@H](C)NC)C3=O)c(OC)ccc12
Show InChI InChI=1S/C30H36N4O6S/c1-5-17-41(38,39)33-29(36)23-11-8-10-21-22(23)14-16-27(40-4)24(21)18-34-26-12-7-6-9-20(26)13-15-25(30(34)37)32-28(35)19(2)31-3/h6-12,14,16,19,25,31H,5,13,15,17-18H2,1-4H3,(H,32,35)(H,33,36)/t19-,25-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314245
PNG
((S)—N—((S)-1-((6-Bromo-2-methoxynaphthal...)
Show SMILES CCC(NC)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C27H30BrN3O3/c1-4-22(29-2)26(32)30-23-13-9-17-7-5-6-8-24(17)31(27(23)33)16-21-20-12-11-19(28)15-18(20)10-14-25(21)34-3/h5-8,10-12,14-15,22-23,29H,4,9,13,16H2,1-3H3,(H,30,32)/t22?,23-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314253
PNG
((S)—N—((S)-1-((6-Chloro-2-methoxynaphtha...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Cl)ccc23)C1=O
Show InChI InChI=1S/C26H28ClN3O3/c1-16(28-2)25(31)29-22-12-8-17-6-4-5-7-23(17)30(26(22)32)15-21-20-11-10-19(27)14-18(20)9-13-24(21)33-3/h4-7,9-11,13-14,16,22,28H,8,12,15H2,1-3H3,(H,29,31)/t16-,22-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314240
PNG
((S)—N—[(S)-1-(6-Methanesulfonylaminocarb...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)NS(C)(=O)=O)C1=O
Show InChI InChI=1S/C28H32N4O6S/c1-17(29-2)26(33)30-23-13-10-18-7-5-6-8-24(18)32(28(23)35)16-22-21-12-9-20(27(34)31-39(4,36)37)15-19(21)11-14-25(22)38-3/h5-9,11-12,14-15,17,23,29H,10,13,16H2,1-4H3,(H,30,33)(H,31,34)/t17-,23-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314292
PNG
((S)-N-[(S)-1-(3-Ethynyl-quinolin-4-ylmethyl)-2-oxo...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(cnc3ccccc23)C#C)C1=O
Show InChI InChI=1S/C26H26N4O2/c1-4-18-15-28-22-11-7-6-10-20(22)21(18)16-30-24-12-8-5-9-19(24)13-14-23(26(30)32)29-25(31)17(2)27-3/h1,5-12,15,17,23,27H,13-14,16H2,2-3H3,(H,29,31)/t17-,23-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314250
PNG
((S)—N—((S)-1-((6-Bromo-2-methoxynaphthal...)
Show SMILES CCN[C@@H](CC)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C28H32BrN3O3/c1-4-23(30-5-2)27(33)31-24-14-10-18-8-6-7-9-25(18)32(28(24)34)17-22-21-13-12-20(29)16-19(21)11-15-26(22)35-3/h6-9,11-13,15-16,23-24,30H,4-5,10,14,17H2,1-3H3,(H,31,33)/t23-,24-/m0/s1
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314251
PNG
((S)—N—((S)-1-((5-Fluoro-2-methoxynaphtha...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(F)cccc23)C1=O
Show InChI InChI=1S/C26H28FN3O3/c1-16(28-2)25(31)29-22-13-11-17-7-4-5-10-23(17)30(26(22)32)15-20-18-8-6-9-21(27)19(18)12-14-24(20)33-3/h4-10,12,14,16,22,28H,11,13,15H2,1-3H3,(H,29,31)/t16-,22-/m0/s1
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314349
PNG
((S)-N-[(S)-1-(5-Methanesulfonylaminocarbonyl-2-met...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(cccc23)C(=O)NS(C)(=O)=O)C1=O
Show InChI InChI=1S/C28H32N4O6S/c1-17(29-2)26(33)30-23-14-12-18-8-5-6-11-24(18)32(28(23)35)16-22-19-9-7-10-21(27(34)31-39(4,36)37)20(19)13-15-25(22)38-3/h5-11,13,15,17,23,29H,12,14,16H2,1-4H3,(H,30,33)(H,31,34)/t17-,23-/m0/s1
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314293
PNG
((S)-N-[(S)-1-(2-Cyclopropyl-naphthalen-1-ylmethyl)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(ccc3ccccc23)C2CC2)C1=O
Show InChI InChI=1S/C28H31N3O2/c1-18(29-2)27(32)30-25-16-14-21-8-4-6-10-26(21)31(28(25)33)17-24-22-9-5-3-7-19(22)13-15-23(24)20-11-12-20/h3-10,13,15,18,20,25,29H,11-12,14,16-17H2,1-2H3,(H,30,32)/t18-,25-/m0/s1
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314219
PNG
((S)—N—{(S)-1-[2-Methoxy-6-(5-oxo-4,5-dih...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)-c2noc(=O)[nH]2)C1=O
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314243
PNG
((S)—N—((S)-1-((3-Cyclopropylquinolin-4-y...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O
Show InChI InChI=1S/C27H30N4O2/c1-17(28-2)26(32)30-24-14-13-19-7-3-6-10-25(19)31(27(24)33)16-22-20-8-4-5-9-23(20)29-15-21(22)18-11-12-18/h3-10,15,17-18,24,28H,11-14,16H2,1-2H3,(H,30,32)/t17-,24-/m0/s1
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314297
PNG
((S)-N-[(S)-1-(5-Bromo-2-methoxy-naphthalen-1-ylmet...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
Show InChI InChI=1S/C26H28BrN3O3/c1-16(28-2)25(31)29-22-13-11-17-7-4-5-10-23(17)30(26(22)32)15-20-18-8-6-9-21(27)19(18)12-14-24(20)33-3/h4-10,12,14,16,22,28H,11,13,15H2,1-3H3,(H,29,31)/t16-,22-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314350
PNG
((S)-N-{(S)-1-[2-Methoxy-6-(propane-1-sulfonylamino...)
Show SMILES CCCS(=O)(=O)NC(=O)c1ccc2c(CN3c4ccccc4CC[C@H](NC(=O)[C@H](C)NC)C3=O)c(OC)ccc2c1
Show InChI InChI=1S/C30H36N4O6S/c1-5-16-41(38,39)33-29(36)22-10-13-23-21(17-22)12-15-27(40-4)24(23)18-34-26-9-7-6-8-20(26)11-14-25(30(34)37)32-28(35)19(2)31-3/h6-10,12-13,15,17,19,25,31H,5,11,14,16,18H2,1-4H3,(H,32,35)(H,33,36)/t19-,25-/m0/s1
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314294
PNG
((S)-N-[(S)-1-(2-Methoxy-6-trifluoromethyl-naphthal...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(F)(F)F)C1=O
Show InChI InChI=1S/C27H28F3N3O3/c1-16(31-2)25(34)32-22-12-8-17-6-4-5-7-23(17)33(26(22)35)15-21-20-11-10-19(27(28,29)30)14-18(20)9-13-24(21)36-3/h4-7,9-11,13-14,16,22,31H,8,12,15H2,1-3H3,(H,32,34)/t16-,22-/m0/s1
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314191
PNG
((S)-2-(2-Hydroxyethylamino)-N—((S)-1-((3-meth...)
Show SMILES CC[C@H](NCCO)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O
Show InChI InChI=1S/C27H32N4O4/c1-3-21(28-14-15-32)26(33)30-23-13-12-18-8-4-7-11-24(18)31(27(23)34)17-20-19-9-5-6-10-22(19)29-16-25(20)35-2/h4-11,16,21,23,28,32H,3,12-15,17H2,1-2H3,(H,30,33)/t21-,23-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314239
PNG
(6-Methoxy-5-[(S)-3-((S)-2-methylamino-propionylami...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O
Show InChI InChI=1S/C27H29N3O5/c1-16(28-2)25(31)29-22-12-9-17-6-4-5-7-23(17)30(26(22)32)15-21-20-11-8-19(27(33)34)14-18(20)10-13-24(21)35-3/h4-8,10-11,13-14,16,22,28H,9,12,15H2,1-3H3,(H,29,31)(H,33,34)/t16-,22-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314295
PNG
((S)-N-[(S)-1-(3-Methoxy-[1,8]naphthyridin-4-ylmeth...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ncccc23)C1=O
Show InChI InChI=1S/C24H27N5O3/c1-15(25-2)23(30)28-19-11-10-16-7-4-5-9-20(16)29(24(19)31)14-18-17-8-6-12-26-22(17)27-13-21(18)32-3/h4-9,12-13,15,19,25H,10-11,14H2,1-3H3,(H,28,30)/t15-,19-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314296
PNG
((S)-N-[(S)-1-(2-Chloro-3-methyl-quinolin-4-ylmethy...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(C)c(Cl)nc3ccccc23)C1=O
Show InChI InChI=1S/C25H27ClN4O2/c1-15-19(18-9-5-6-10-20(18)28-23(15)26)14-30-22-11-7-4-8-17(22)12-13-21(25(30)32)29-24(31)16(2)27-3/h4-11,16,21,27H,12-14H2,1-3H3,(H,29,31)/t16-,21-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314223
PNG
((S)—N—{(S)-1-[6-(5,6-Dioxo-1,4,5,6-tetra...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)-c2n[nH]c(=O)c(=O)[nH]2)C1=O
Show InChI InChI=1S/C29H28N6O5/c1-16(30-2)26(36)31-22-12-9-17-6-4-5-7-23(17)35(29(22)39)15-21-20-11-8-19(14-18(20)10-13-24(21)40-3)25-32-27(37)28(38)34-33-25/h4-8,10-11,13-14,16,22,30H,9,12,15H2,1-3H3,(H,31,36)/t16-,22-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314255
PNG
((S)—N—((S)-1-((2-Methoxy-5-(1H-tetrazol-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(cccc23)-c2nnn[nH]2)C1=O
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n/an/a 72n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314252
PNG
((S)—N—((S)-1-((6-Fluoro-2-methoxynaphtha...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(F)ccc23)C1=O
Show InChI InChI=1S/C26H28FN3O3/c1-16(28-2)25(31)29-22-12-8-17-6-4-5-7-23(17)30(26(22)32)15-21-20-11-10-19(27)14-18(20)9-13-24(21)33-3/h4-7,9-11,13-14,16,22,28H,8,12,15H2,1-3H3,(H,29,31)/t16-,22-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50441343
PNG
(CHEMBL2431764 | US9611224, Example 61)
Show SMILES CCN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C27H30BrN3O3/c1-4-29-17(2)26(32)30-23-13-9-18-7-5-6-8-24(18)31(27(23)33)16-22-21-12-11-20(28)15-19(21)10-14-25(22)34-3/h5-8,10-12,14-15,17,23,29H,4,9,13,16H2,1-3H3,(H,30,32)/t17-,23-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314298
PNG
((S)-2-Methylamino-N-{(S)-2-oxo-1-[2-(2,2,2-trifluo...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OCC(F)(F)F)ccc3ccccc23)C1=O
Show InChI InChI=1S/C27H28F3N3O3/c1-17(31-2)25(34)32-22-13-11-19-8-4-6-10-23(19)33(26(22)35)15-21-20-9-5-3-7-18(20)12-14-24(21)36-16-27(28,29)30/h3-10,12,14,17,22,31H,11,13,15-16H2,1-2H3,(H,32,34)/t17-,22-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314299
PNG
((S)-2-Methylamino-N-[(S)-1-(3-methyl-quinolin-4-yl...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(C)cnc3ccccc23)C1=O
Show InChI InChI=1S/C25H28N4O2/c1-16-14-27-21-10-6-5-9-19(21)20(16)15-29-23-11-7-4-8-18(23)12-13-22(25(29)31)28-24(30)17(2)26-3/h4-11,14,17,22,26H,12-13,15H2,1-3H3,(H,28,30)/t17-,22-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314227
PNG
((S)—N—{(S)-1-[2-Methoxy-6-(1H-tetrazol-5...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)-c2nnn[nH]2)C1=O
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n/an/a 93n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314193
PNG
((S)-2-Amino-N-[(S)-1-(6-bromo-2-methoxy-naphthalen...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H28BrN3O3/c1-3-21(28)25(31)29-22-12-8-16-6-4-5-7-23(16)30(26(22)32)15-20-19-11-10-18(27)14-17(19)9-13-24(20)33-2/h4-7,9-11,13-14,21-22H,3,8,12,15,28H2,1-2H3,(H,29,31)/t21-,22-/m0/s1
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n/an/a 95n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314237
PNG
((S)—N—[(S)-1-(5-Furan-2-yl-2-methoxy-nap...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(cccc23)-c2ccco2)C1=O
Show InChI InChI=1S/C30H31N3O4/c1-19(31-2)29(34)32-25-15-13-20-8-4-5-11-26(20)33(30(25)35)18-24-21-9-6-10-23(28-12-7-17-37-28)22(21)14-16-27(24)36-3/h4-12,14,16-17,19,25,31H,13,15,18H2,1-3H3,(H,32,34)/t19-,25-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314300
PNG
((S)-N-[(S)-1-(3-Chloro-[1,8]naphthyridin-4-ylmethy...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(Cl)cnc3ncccc23)C1=O
Show InChI InChI=1S/C23H24ClN5O2/c1-14(25-2)22(30)28-19-10-9-15-6-3-4-8-20(15)29(23(19)31)13-17-16-7-5-11-26-21(16)27-12-18(17)24/h3-8,11-12,14,19,25H,9-10,13H2,1-2H3,(H,28,30)/t14-,19-/m0/s1
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n/an/a 102n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50441344
PNG
(CHEMBL2431763 | US9611224, Example 10)
Show SMILES COc1ccc2cc(Br)ccc2c1CN1c2ccccc2CC[C@H](NC(=O)[C@@H](N)[C@H](C)O)C1=O
Show InChI InChI=1S/C26H28BrN3O4/c1-15(31)24(28)25(32)29-21-11-7-16-5-3-4-6-22(16)30(26(21)33)14-20-19-10-9-18(27)13-17(19)8-12-23(20)34-2/h3-6,8-10,12-13,15,21,24,31H,7,11,14,28H2,1-2H3,(H,29,32)/t15-,21-,24-/m0/s1
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n/an/a 104n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314301
PNG
((S)-N-[(S)-1-(2-Fluoro-naphthalen-1-ylmethyl)-2-ox...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(F)ccc3ccccc23)C1=O
Show InChI InChI=1S/C25H26FN3O2/c1-16(27-2)24(30)28-22-14-12-18-8-4-6-10-23(18)29(25(22)31)15-20-19-9-5-3-7-17(19)11-13-21(20)26/h3-11,13,16,22,27H,12,14-15H2,1-2H3,(H,28,30)/t16-,22-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314328
PNG
((S)-N-[(S)-1-(6-Furan-2-yl-2-methoxy-naphthalen-1-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)-c2ccco2)C1=O
Show InChI InChI=1S/C30H31N3O4/c1-19(31-2)29(34)32-25-14-11-20-7-4-5-8-26(20)33(30(25)35)18-24-23-13-10-22(27-9-6-16-37-27)17-21(23)12-15-28(24)36-3/h4-10,12-13,15-17,19,25,31H,11,14,18H2,1-3H3,(H,32,34)/t19-,25-/m0/s1
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n/an/a 118n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314202
PNG
((S)—N—{(S)-1-[2-(3-Hydroxy-oxetan-3-ylet...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(ccc3ccccc23)C#CC2(O)COC2)C1=O
Show InChI InChI=1S/C30H31N3O4/c1-20(31-2)28(34)32-26-14-13-23-8-4-6-10-27(23)33(29(26)35)17-25-22(15-16-30(36)18-37-19-30)12-11-21-7-3-5-9-24(21)25/h3-12,20,26,31,36H,13-14,17-19H2,1-2H3,(H,32,34)/t20-,26-/m0/s1
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n/an/a 122n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314302
PNG
((S)-2-Methylamino-N-{(S)-2-oxo-1-[3-(2,2,2-trifluo...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OCC(F)(F)F)cnc3ccccc23)C1=O
Show InChI InChI=1S/C26H27F3N4O3/c1-16(30-2)24(34)32-21-12-11-17-7-3-6-10-22(17)33(25(21)35)14-19-18-8-4-5-9-20(18)31-13-23(19)36-15-26(27,28)29/h3-10,13,16,21,30H,11-12,14-15H2,1-2H3,(H,32,34)/t16-,21-/m0/s1
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n/an/a 122n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314303
PNG
((S)-2-Methylamino-N-[(S)-1-(3-methyl-isoquinolin-4...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(C)ncc3ccccc23)C1=O
Show InChI InChI=1S/C25H28N4O2/c1-16-21(20-10-6-4-9-19(20)14-27-16)15-29-23-11-7-5-8-18(23)12-13-22(25(29)31)28-24(30)17(2)26-3/h4-11,14,17,22,26H,12-13,15H2,1-3H3,(H,28,30)/t17-,22-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314222
PNG
((S)—N—{(S)-1-[2-Methoxy-6-(5-oxo-4,5-dih...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)-c2n[nH]c(=O)[nH]2)C1=O
Show InChI InChI=1S/C28H28N6O4/c1-16(29-2)26(35)30-22-12-9-17-6-4-5-7-23(17)34(27(22)36)15-21-20-11-8-19(25-31-28(37)33-32-25)14-18(20)10-13-24(21)38-3/h4-8,10-11,13-14,16,22,29H,9,12,15H2,1-3H3,(H,30,35)/t16-,22-/m0/s1
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n/an/a 127n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314329
PNG
((S)-N-[(S)-1-(5-Furan-3-yl-2-methoxy-naphthalen-1-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(cccc23)-c2ccoc2)C1=O
Show InChI InChI=1S/C30H31N3O4/c1-19(31-2)29(34)32-26-13-11-20-7-4-5-10-27(20)33(30(26)35)17-25-23-9-6-8-22(21-15-16-37-18-21)24(23)12-14-28(25)36-3/h4-10,12,14-16,18-19,26,31H,11,13,17H2,1-3H3,(H,32,34)/t19-,26-/m0/s1
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n/an/a 128n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314224
PNG
((S)—N—{(S)-1-[2-Methoxy-6-(5-trifluorome...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)-c2nnc([nH]2)C(F)(F)F)C1=O
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n/an/a 131n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314246
PNG
((S)—N—((S)-1-((6-Bromo-2-methoxynaphthal...)
Show SMILES CCCN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C28H32BrN3O3/c1-4-15-30-18(2)27(33)31-24-13-9-19-7-5-6-8-25(19)32(28(24)34)17-23-22-12-11-21(29)16-20(22)10-14-26(23)35-3/h5-8,10-12,14,16,18,24,30H,4,9,13,15,17H2,1-3H3,(H,31,33)/t18-,24-/m0/s1
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n/an/a 152n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314241
PNG
((S)—N—[(S)-1-(5-Cyano-2-methoxy-naphthal...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(cccc23)C#N)C1=O
Show InChI InChI=1S/C27H28N4O3/c1-17(29-2)26(32)30-23-13-11-18-7-4-5-10-24(18)31(27(23)33)16-22-21-9-6-8-19(15-28)20(21)12-14-25(22)34-3/h4-10,12,14,17,23,29H,11,13,16H2,1-3H3,(H,30,32)/t17-,23-/m0/s1
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n/an/a 171n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314351
PNG
(6-Methoxy-5-[(S)-3-((S)-2-methylamino-propionylami...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(cccc23)C(=O)OC)C1=O
Show InChI InChI=1S/C28H31N3O5/c1-17(29-2)26(32)30-23-14-12-18-8-5-6-11-24(18)31(27(23)33)16-22-19-9-7-10-21(28(34)36-4)20(19)13-15-25(22)35-3/h5-11,13,15,17,23,29H,12,14,16H2,1-4H3,(H,30,32)/t17-,23-/m0/s1
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n/an/a 181n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314256
PNG
((S)-2-Methylamino-N—{(S)-2-oxo-1-[5-(1H-tetra...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cccc3c(cccc23)-c2nnn[nH]2)C1=O
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n/an/a 181n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314257
PNG
((S)—N—((S)-1-((5-Acetyl-2-methoxynaphtha...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(cccc23)C(C)=O)C1=O
Show InChI InChI=1S/C28H31N3O4/c1-17(29-3)27(33)30-24-14-12-19-8-5-6-11-25(19)31(28(24)34)16-23-21-10-7-9-20(18(2)32)22(21)13-15-26(23)35-4/h5-11,13,15,17,24,29H,12,14,16H2,1-4H3,(H,30,33)/t17-,24-/m0/s1
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n/an/a 186n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314195
PNG
((S)—N—((S)-1-((6-Bromo-2-methoxynaphthal...)
Show SMILES CC[C@H](NC1CCC1)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C30H34BrN3O3/c1-3-25(32-22-8-6-9-22)29(35)33-26-15-11-19-7-4-5-10-27(19)34(30(26)36)18-24-23-14-13-21(31)17-20(23)12-16-28(24)37-2/h4-5,7,10,12-14,16-17,22,25-26,32H,3,6,8-9,11,15,18H2,1-2H3,(H,33,35)/t25-,26-/m0/s1
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n/an/a 194n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50441347
PNG
(CHEMBL2431760 | US9611224, Example 29)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C26H28BrN3O3/c1-16(28-2)25(31)29-22-12-8-17-6-4-5-7-23(17)30(26(22)32)15-21-20-11-10-19(27)14-18(20)9-13-24(21)33-3/h4-7,9-11,13-14,16,22,28H,8,12,15H2,1-3H3,(H,29,31)/t16-,22-/m0/s1
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US Patent
n/an/a 194n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314352
PNG
(5-[(S)-3-((S)-2-Methylamino-propionylamino)-2-oxo-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cccc3c(cccc23)C(O)=O)C1=O
Show InChI InChI=1S/C26H27N3O4/c1-16(27-2)24(30)28-22-14-13-17-7-3-4-12-23(17)29(25(22)31)15-18-8-5-10-20-19(18)9-6-11-21(20)26(32)33/h3-12,16,22,27H,13-15H2,1-2H3,(H,28,30)(H,32,33)/t16-,22-/m0/s1
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n/an/a 196n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314233
PNG
((S)—N—[(S)-1-(6-Acetyl-2-methoxy-naphtha...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(C)=O)C1=O
Show InChI InChI=1S/C28H31N3O4/c1-17(29-3)27(33)30-24-13-10-19-7-5-6-8-25(19)31(28(24)34)16-23-22-12-9-20(18(2)32)15-21(22)11-14-26(23)35-4/h5-9,11-12,14-15,17,24,29H,10,13,16H2,1-4H3,(H,30,33)/t17-,24-/m0/s1
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n/an/a 197n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

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