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Compile Data Set for Download or QSAR

Found 172 hits of Enz. Inhib. data with enzyme = 'Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314207
PNG
((S)—N—[(S)-1-(5-Bromo-benzo[b]thiophen-3...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2csc3ccc(Br)cc23)C1=O
Show InChI InChI=1S/C23H24BrN3O2S/c1-14(25-2)22(28)26-19-9-7-15-5-3-4-6-20(15)27(23(19)29)12-16-13-30-21-10-8-17(24)11-18(16)21/h3-6,8,10-11,13-14,19,25H,7,9,12H2,1-2H3,(H,26,28)/t14-,19-/m0/s1
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n/an/a 2.74E+4n/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 3 (IAP1 BIR3)


(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 3.16E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314363
PNG
((S)-N-(1-Biphenyl-3-ylmethyl-2-oxo-2,3,4,5-tetrahy...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cccc(c2)-c2ccccc2)C1=O
Show InChI InChI=1S/C27H29N3O2/c1-19(28-2)26(31)29-24-16-15-22-12-6-7-14-25(22)30(27(24)32)18-20-9-8-13-23(17-20)21-10-4-3-5-11-21/h3-14,17,19,24,28H,15-16,18H2,1-2H3,(H,29,31)/t19-,24-/m0/s1
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n/an/a 3.18E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314365
PNG
((S)-2-Methylamino-N-[1-(6-methyl-biphenyl-3-ylmeth...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccc(C)c(c2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H31N3O2/c1-19-13-14-21(17-24(19)22-9-5-4-6-10-22)18-31-26-12-8-7-11-23(26)15-16-25(28(31)33)30-27(32)20(2)29-3/h4-14,17,20,25,29H,15-16,18H2,1-3H3,(H,30,32)/t20-,25-/m0/s1
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n/an/a 3.35E+4n/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 3 (IAP1 BIR3)


(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 3.72E+4n/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 3 (IAP1 BIR3)


(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 3.97E+4n/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 3 (IAP1 BIR3)


(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 4.02E+4n/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 3 (IAP1 BIR3)


(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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n/an/a 4.03E+4n/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 3 (IAP1 BIR3)


(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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n/an/a 4.04E+4n/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 3 (IAP1 BIR3)


(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 4.12E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314271
PNG
((S)-N-[(S)-1-(5-Iodo-2-methoxy-benzyl)-2-oxo-2,3,4...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cc(I)ccc2OC)C1=O
Show InChI InChI=1S/C22H26IN3O3/c1-14(24-2)21(27)25-18-10-8-15-6-4-5-7-19(15)26(22(18)28)13-16-12-17(23)9-11-20(16)29-3/h4-7,9,11-12,14,18,24H,8,10,13H2,1-3H3,(H,25,27)/t14-,18-/m0/s1
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n/an/a 4.30E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314342
PNG
((S)-N-{(S)-1-[6-(3,5-Dimethyl-isoxazol-4-ylmethyl)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Cc4c(C)noc4C)ccc23)C1=O
Show InChI InChI=1S/C32H36N4O4/c1-19-26(21(3)40-35-19)17-22-10-13-25-24(16-22)12-15-30(39-5)27(25)18-36-29-9-7-6-8-23(29)11-14-28(32(36)38)34-31(37)20(2)33-4/h6-10,12-13,15-16,20,28,33H,11,14,17-18H2,1-5H3,(H,34,37)/t20-,28-/m0/s1
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n/an/a 4.40E+4n/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 3 (IAP1 BIR3)


(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 4.49E+4n/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 3 (IAP1 BIR3)


(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 4.49E+4n/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 3 (IAP1 BIR3)


(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
Show InChI InChI=1S/C28H29N5O5/c1-16(29-2)26(34)30-22-12-9-17-6-4-5-7-23(17)33(27(22)35)15-21-20-11-8-19(25-31-28(36)38-32-25)14-18(20)10-13-24(21)37-3/h4-8,10-11,13-14,16,22,29H,9,12,15H2,1-3H3,(H,30,34)(H,31,32,36)/t16-,22-/m0/s1
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n/an/a 4.50E+4n/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 3 (IAP1 BIR3)


(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 4.50E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314244
PNG
((S)—N—((S)-1-((2,6-Bis(trifluoromethyl)q...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cc(nc3ccc(cc23)C(F)(F)F)C(F)(F)F)C1=O
Show InChI InChI=1S/C26H24F6N4O2/c1-14(33-2)23(37)35-20-9-7-15-5-3-4-6-21(15)36(24(20)38)13-16-11-22(26(30,31)32)34-19-10-8-17(12-18(16)19)25(27,28)29/h3-6,8,10-12,14,20,33H,7,9,13H2,1-2H3,(H,35,37)/t14-,20-/m0/s1
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n/an/a 4.54E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314313
PNG
((S)-N-[(S)-1-(7-Bromo-naphthalen-1-ylmethyl)-2-oxo...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cccc3ccc(Br)cc23)C1=O
Show InChI InChI=1S/C25H26BrN3O2/c1-16(27-2)24(30)28-22-13-11-18-6-3-4-9-23(18)29(25(22)31)15-19-8-5-7-17-10-12-20(26)14-21(17)19/h3-10,12,14,16,22,27H,11,13,15H2,1-2H3,(H,28,30)/t16-,22-/m0/s1
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n/an/a 4.75E+4n/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 3 (IAP1 BIR3)


(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 4.99E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314247
PNG
((S)—N—((S)-1-((6-Bromo-2-methoxynaphthal...)
Show SMILES COc1ccc2cc(Br)ccc2c1CN1c2ccccc2CC[C@H](NC(=O)[C@H](C)NCC(C)C)C1=O
Show InChI InChI=1S/C29H34BrN3O3/c1-18(2)16-31-19(3)28(34)32-25-13-9-20-7-5-6-8-26(20)33(29(25)35)17-24-23-12-11-22(30)15-21(23)10-14-27(24)36-4/h5-8,10-12,14-15,18-19,25,31H,9,13,16-17H2,1-4H3,(H,32,34)/t19-,25-/m0/s1
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n/an/a>5.00E+4n/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 3 (IAP1 BIR3)


(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>5.00E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314279
PNG
((S)-2-Methylamino-N-((S)-2-oxo-1-pyridin-3-ylmethy...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cccnc2)C1=O
Show InChI InChI=1S/C20H24N4O2/c1-14(21-2)19(25)23-17-10-9-16-7-3-4-8-18(16)24(20(17)26)13-15-6-5-11-22-12-15/h3-8,11-12,14,17,21H,9-10,13H2,1-2H3,(H,23,25)/t14-,17-/m0/s1
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n/an/a>5.15E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314276
PNG
((S)-2-Methylamino-N-((S)-2-oxo-1-thiazol-5-ylmethy...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cncs2)C1=O
Show InChI InChI=1S/C18H22N4O2S/c1-12(19-2)17(23)21-15-8-7-13-5-3-4-6-16(13)22(18(15)24)10-14-9-20-11-25-14/h3-6,9,11-12,15,19H,7-8,10H2,1-2H3,(H,21,23)/t12-,15-/m0/s1
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n/an/a>5.15E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314269
PNG
((S)-N-[(S)-1-(5-Chloro-2-fluoro-benzyl)-2-oxo-2,3,...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cc(Cl)ccc2F)C1=O
Show InChI InChI=1S/C21H23ClFN3O2/c1-13(24-2)20(27)25-18-10-7-14-5-3-4-6-19(14)26(21(18)28)12-15-11-16(22)8-9-17(15)23/h3-6,8-9,11,13,18,24H,7,10,12H2,1-2H3,(H,25,27)/t13-,18-/m0/s1
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n/an/a>5.15E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314138
PNG
((S)-2-(Methylamino)-N—((S)-2-oxo-1-(thiophen-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cccs2)C1=O
Show InChI InChI=1S/C19H23N3O2S/c1-13(20-2)18(23)21-16-10-9-14-6-3-4-8-17(14)22(19(16)24)12-15-7-5-11-25-15/h3-8,11,13,16,20H,9-10,12H2,1-2H3,(H,21,23)/t13-,16-/m0/s1
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n/an/a>5.15E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314272
PNG
((S)-N-[(S)-1-(5-Isopropyl-2-methoxy-benzyl)-2-oxo-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cc(ccc2OC)C(C)C)C1=O
Show InChI InChI=1S/C25H33N3O3/c1-16(2)19-11-13-23(31-5)20(14-19)15-28-22-9-7-6-8-18(22)10-12-21(25(28)30)27-24(29)17(3)26-4/h6-9,11,13-14,16-17,21,26H,10,12,15H2,1-5H3,(H,27,29)/t17-,21-/m0/s1
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n/an/a>5.15E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314274
PNG
((S)-2-Methylamino-N-((S)-2-oxo-1-thiophen-3-ylmeth...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccsc2)C1=O
Show InChI InChI=1S/C19H23N3O2S/c1-13(20-2)18(23)21-16-8-7-15-5-3-4-6-17(15)22(19(16)24)11-14-9-10-25-12-14/h3-6,9-10,12-13,16,20H,7-8,11H2,1-2H3,(H,21,23)/t13-,16-/m0/s1
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n/an/a>5.15E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314305
PNG
((S)-N-[(S)-1-(2-Chloro-naphthalen-1-ylmethyl)-2-ox...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(Cl)ccc3ccccc23)C1=O
Show InChI InChI=1S/C25H26ClN3O2/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 5.21E+4n/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 3 (IAP1 BIR3)


(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 5.26E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50441348
PNG
(CHEMBL2431759 | US9611224, Example 47c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
Show InChI InChI=1S/C26H29N3O3/c1-17(27-2)25(30)28-22-14-12-19-9-5-7-11-23(19)29(26(22)31)16-21-20-10-6-4-8-18(20)13-15-24(21)32-3/h4-11,13,15,17,22,27H,12,14,16H2,1-3H3,(H,28,30)/t17-,22-/m0/s1
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n/an/a>5.40E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314213
PNG
((S)—N—[(S)-1-Benzyl-2-oxo-8-(3-phenyl-pr...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccc(OCCCc3ccccc3)cc2N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C30H35N3O3/c1-22(31-2)29(34)32-27-18-16-25-15-17-26(36-19-9-14-23-10-5-3-6-11-23)20-28(25)33(30(27)35)21-24-12-7-4-8-13-24/h3-8,10-13,15,17,20,22,27,31H,9,14,16,18-19,21H2,1-2H3,(H,32,34)/t22-,27-/m0/s1
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n/an/a>5.40E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314309
PNG
((S)-N-[(S)-1-(2,4-Dimethyl-naphthalen-1-ylmethyl)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(C)cc(C)c3ccccc23)C1=O
Show InChI InChI=1S/C27H31N3O2/c1-17-15-18(2)23(22-11-7-6-10-21(17)22)16-30-25-12-8-5-9-20(25)13-14-24(27(30)32)29-26(31)19(3)28-4/h5-12,15,19,24,28H,13-14,16H2,1-4H3,(H,29,31)/t19-,24-/m0/s1
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n/an/a>5.40E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314332
PNG
((S)-N-[(S)-1-(4-Benzyl-naphthalen-1-ylmethyl)-2-ox...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccc(Cc3ccccc3)c3ccccc23)C1=O
Show InChI InChI=1S/C32H33N3O2/c1-22(33-2)31(36)34-29-19-18-24-12-6-9-15-30(24)35(32(29)37)21-26-17-16-25(20-23-10-4-3-5-11-23)27-13-7-8-14-28(26)27/h3-17,22,29,33H,18-21H2,1-2H3,(H,34,36)/t22-,29-/m0/s1
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n/an/a>5.40E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314211
PNG
((S)—N—((S)-1-Benzyl-2-oxo-8-phenethyloxy...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccc(OCCc3ccccc3)cc2N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C29H33N3O3/c1-21(30-2)28(33)31-26-16-14-24-13-15-25(35-18-17-22-9-5-3-6-10-22)19-27(24)32(29(26)34)20-23-11-7-4-8-12-23/h3-13,15,19,21,26,30H,14,16-18,20H2,1-2H3,(H,31,33)/t21-,26-/m0/s1
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n/an/a>5.40E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314334
PNG
((S)-2-Methylamino-N-[(S)-2-oxo-1-(4-phenethyl-naph...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccc(CCc3ccccc3)c3ccccc23)C1=O
Show InChI InChI=1S/C33H35N3O2/c1-23(34-2)32(37)35-30-21-20-26-12-6-9-15-31(26)36(33(30)38)22-27-19-18-25(28-13-7-8-14-29(27)28)17-16-24-10-4-3-5-11-24/h3-15,18-19,23,30,34H,16-17,20-22H2,1-2H3,(H,35,37)/t23-,30-/m0/s1
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n/an/a>5.40E+4n/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 3 (IAP1 BIR3)


(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 5.41E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50441353
PNG
(CHEMBL2431771 | US9611224, Example 55g)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(CCc2ccccc2)C1=O
Show InChI InChI=1S/C22H27N3O2/c1-16(23-2)21(26)24-19-13-12-18-10-6-7-11-20(18)25(22(19)27)15-14-17-8-4-3-5-9-17/h3-11,16,19,23H,12-15H2,1-2H3,(H,24,26)/t16-,19-/m0/s1
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n/an/a>5.42E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314367
PNG
((S)-N-(1-Biphenyl-4-ylmethyl-2-oxo-2,3,4,5-tetrahy...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C27H29N3O2/c1-19(28-2)26(31)29-24-17-16-23-10-6-7-11-25(23)30(27(24)32)18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-15,19,24,28H,16-18H2,1-2H3,(H,29,31)/t19-,24-/m0/s1
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n/an/a>5.42E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50441354
PNG
(CHEMBL2431770 | US9611224, Example 55e)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H25N3O2/c1-15(22-2)20(25)23-18-13-12-17-10-6-7-11-19(17)24(21(18)26)14-16-8-4-3-5-9-16/h3-11,15,18,22H,12-14H2,1-2H3,(H,23,25)/t15-,18-/m0/s1
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n/an/a>5.42E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314364
PNG
((S)-2-Methylamino-N-[2-oxo-1-(3-phenyl-isoxazol-5-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cc(no2)-c2ccccc2)C1=O
Show InChI InChI=1S/C24H26N4O3/c1-16(25-2)23(29)26-20-13-12-18-10-6-7-11-22(18)28(24(20)30)15-19-14-21(27-31-19)17-8-4-3-5-9-17/h3-11,14,16,20,25H,12-13,15H2,1-2H3,(H,26,29)/t16-,20-/m0/s1
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n/an/a>5.42E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314369
PNG
((S)-2-Methylamino-N-[2-oxo-1-(3-phenyl-propyl)-2,3...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(CCCc2ccccc2)C1=O
Show InChI InChI=1S/C23H29N3O2/c1-17(24-2)22(27)25-20-15-14-19-12-6-7-13-21(19)26(23(20)28)16-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,17,20,24H,8,11,14-16H2,1-2H3,(H,25,27)/t17-,20-/m0/s1
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n/an/a>5.42E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314362
PNG
((S)-N-(1-Biphenyl-2-ylmethyl-2-oxo-2,3,4,5-tetrahy...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccccc2-c2ccccc2)C1=O
Show InChI InChI=1S/C27H29N3O2/c1-19(28-2)26(31)29-24-17-16-21-12-7-9-15-25(21)30(27(24)32)18-22-13-6-8-14-23(22)20-10-4-3-5-11-20/h3-15,19,24,28H,16-18H2,1-2H3,(H,29,31)/t19-,24-/m0/s1
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n/an/a>5.42E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50441354
PNG
(CHEMBL2431770 | US9611224, Example 55e)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H25N3O2/c1-15(22-2)20(25)23-18-13-12-17-10-6-7-11-19(17)24(21(18)26)14-16-8-4-3-5-9-16/h3-11,15,18,22H,12-14H2,1-2H3,(H,23,25)/t15-,18-/m0/s1
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n/an/a>5.42E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314212
PNG
((S)—N—((S)-1-Benzyl-8-methoxy-2-oxo-2,3,...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccc(OC)cc2N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H27N3O3/c1-15(23-2)21(26)24-19-12-10-17-9-11-18(28-3)13-20(17)25(22(19)27)14-16-7-5-4-6-8-16/h4-9,11,13,15,19,23H,10,12,14H2,1-3H3,(H,24,26)/t15-,19-/m0/s1
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n/an/a>5.42E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50441351
PNG
(CHEMBL2431756 | US9611224, Example 47h)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C25H27N3O2/c1-17(26-2)24(29)27-22-15-14-19-9-4-6-13-23(19)28(25(22)30)16-20-11-7-10-18-8-3-5-12-21(18)20/h3-13,17,22,26H,14-16H2,1-2H3,(H,27,29)/t17-,22-/m0/s1
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n/an/a>5.42E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50441352
PNG
(CHEMBL2431772 | US9611224, Example 47nn)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C25H27N3O2/c1-17(26-2)24(29)27-22-14-13-20-8-5-6-10-23(20)28(25(22)30)16-18-11-12-19-7-3-4-9-21(19)15-18/h3-12,15,17,22,26H,13-14,16H2,1-2H3,(H,27,29)/t17-,22-/m0/s1
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n/an/a>5.42E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314135
PNG
((S)—N—[(S)-1-(5-Fluoro-2-methoxy-benzyl)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cc(F)ccc2OC)C1=O
Show InChI InChI=1S/C22H26FN3O3/c1-14(24-2)21(27)25-18-10-8-15-6-4-5-7-19(15)26(22(18)28)13-16-12-17(23)9-11-20(16)29-3/h4-7,9,11-12,14,18,24H,8,10,13H2,1-3H3,(H,25,27)/t14-,18-/m0/s1
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n/an/a>5.48E+4n/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 3 (IAP1 BIR3)


(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>5.48E+4n/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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314192
PNG
((S)-2-Amino-N-[(R)-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>5.48E+4n/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 3 (IAP1 BIR3)


(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>5.48E+4n/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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