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Patent code US10000483

Compile Data Set for Download or QSAR
Found 117 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
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400818
PNG
(QL-XII-03 | US10000483, Compound II-11)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cccnc1
Show InChI InChI=1S/C27H20N4O2/c1-3-25(32)30-24-14-21(9-6-17(24)2)31-26(33)11-8-20-16-29-23-10-7-18(13-22(23)27(20)31)19-5-4-12-28-15-19/h3-16H,1H2,2H3,(H,30,32)
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n/an/a 1n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400813
PNG
(QL-X-138 | US10000483, Compound II-6)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h3-14H,1H2,2H3,(H,27,28)(H,29,31)
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n/an/a 5n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400819
PNG
(QL-XII-44 | US10000483, Compound II-12)
Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C32H22N4O2/c1-2-30(37)35-14-13-20-7-10-25(17-29(20)35)36-31(38)12-9-23-18-34-28-11-8-21(16-26(28)32(23)36)24-15-22-5-3-4-6-27(22)33-19-24/h2-12,15-19H,1,13-14H2
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n/an/a 5.62n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400819
PNG
(QL-XII-44 | US10000483, Compound II-12)
Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C32H22N4O2/c1-2-30(37)35-14-13-20-7-10-25(17-29(20)35)36-31(38)12-9-23-18-34-28-11-8-21(16-26(28)32(23)36)24-15-22-5-3-4-6-27(22)33-19-24/h2-12,15-19H,1,13-14H2
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n/an/a 6n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400820
PNG
(QL-XII-45 | US10000483, Compound II-13)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)
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n/an/a 6n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50245587
PNG
(CHEMBL4077064 | US10000483, Compound II-4)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3
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n/an/a 6.73n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400813
PNG
(QL-X-138 | US10000483, Compound II-6)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h3-14H,1H2,2H3,(H,27,28)(H,29,31)
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n/an/a 7n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50245587
PNG
(CHEMBL4077064 | US10000483, Compound II-4)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3
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n/an/a 7n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400819
PNG
(QL-XII-44 | US10000483, Compound II-12)
Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C32H22N4O2/c1-2-30(37)35-14-13-20-7-10-25(17-29(20)35)36-31(38)12-9-23-18-34-28-11-8-21(16-26(28)32(23)36)24-15-22-5-3-4-6-27(22)33-19-24/h2-12,15-19H,1,13-14H2
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n/an/a 7n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50245587
PNG
(CHEMBL4077064 | US10000483, Compound II-4)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3
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n/an/a 7n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400813
PNG
(QL-X-138 | US10000483, Compound II-6)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h3-14H,1H2,2H3,(H,27,28)(H,29,31)
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n/an/a 7.36n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
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n/an/a 7.99n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
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n/an/a 8n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400810
PNG
(QL-XII-56 | US10000483, Compound II-3)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1
Show InChI InChI=1S/C26H21N5O2/c1-4-24(32)29-23-12-20(8-5-16(23)2)31-25(33)10-7-18-13-27-22-9-6-17(11-21(22)26(18)31)19-14-28-30(3)15-19/h4-15H,1H2,2-3H3,(H,29,32)
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n/an/a 8n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400810
PNG
(QL-XII-56 | US10000483, Compound II-3)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1
Show InChI InChI=1S/C26H21N5O2/c1-4-24(32)29-23-12-20(8-5-16(23)2)31-25(33)10-7-18-13-27-22-9-6-17(11-21(22)26(18)31)19-14-28-30(3)15-19/h4-15H,1H2,2-3H3,(H,29,32)
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n/an/a 8.16n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400821
PNG
(QL-XII-46 | US10000483, Compound II-14)
Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C26H19N5O2/c1-2-24(32)30-10-9-16-3-6-20(12-23(16)30)31-25(33)8-5-18-13-27-22-7-4-17(11-21(22)26(18)31)19-14-28-29-15-19/h2-8,11-15H,1,9-10H2,(H,28,29)
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n/an/a 8.75n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400821
PNG
(QL-XII-46 | US10000483, Compound II-14)
Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C26H19N5O2/c1-2-24(32)30-10-9-16-3-6-20(12-23(16)30)31-25(33)8-5-18-13-27-22-7-4-17(11-21(22)26(18)31)19-14-28-29-15-19/h2-8,11-15H,1,9-10H2,(H,28,29)
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n/an/a 9n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400815
PNG
(QL-XI-13 | US10000483, Compound II-8)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C24H17N5O2/c1-2-22(30)28-18-4-3-5-19(11-18)29-23(31)9-7-16-12-25-21-8-6-15(10-20(21)24(16)29)17-13-26-27-14-17/h2-14H,1H2,(H,26,27)(H,28,30)
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n/an/a 10.5n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400802
PNG
(QL-XII-51 | US10000483, Compound I-11)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C33H30N4O4S/c1-5-30(38)36-17-16-22-6-11-25(19-29(22)36)37-31(39)15-10-24-20-34-28-14-9-23(18-27(28)32(24)37)21-7-12-26(13-8-21)42(40,41)35-33(2,3)4/h5-15,18-20,35H,1,16-17H2,2-4H3
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n/an/a 11n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400815
PNG
(QL-XI-13 | US10000483, Compound II-8)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C24H17N5O2/c1-2-22(30)28-18-4-3-5-19(11-18)29-23(31)9-7-16-12-25-21-8-6-15(10-20(21)24(16)29)17-13-26-27-14-17/h2-14H,1H2,(H,26,27)(H,28,30)
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n/an/a 11n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400817
PNG
(QL-XI-76 | US10000483, Compound II-10)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccoc1
Show InChI InChI=1S/C26H19N3O3/c1-3-24(30)28-23-13-20(7-4-16(23)2)29-25(31)9-6-18-14-27-22-8-5-17(12-21(22)26(18)29)19-10-11-32-15-19/h3-15H,1H2,2H3,(H,28,30)
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n/an/a 12n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400821
PNG
(QL-XII-46 | US10000483, Compound II-14)
Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C26H19N5O2/c1-2-24(32)30-10-9-16-3-6-20(12-23(16)30)31-25(33)8-5-18-13-27-22-7-4-17(11-21(22)26(18)31)19-14-28-29-15-19/h2-8,11-15H,1,9-10H2,(H,28,29)
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n/an/a 12n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400817
PNG
(QL-XI-76 | US10000483, Compound II-10)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccoc1
Show InChI InChI=1S/C26H19N3O3/c1-3-24(30)28-23-13-20(7-4-16(23)2)29-25(31)9-6-18-14-27-22-8-5-17(12-21(22)26(18)29)19-10-11-32-15-19/h3-15H,1H2,2H3,(H,28,30)
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n/an/a 12.1n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400812
PNG
(QL-X-134 | US10000483, Compound II-5)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(N)nc1
Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-23-13-20(8-4-16(23)2)32-26(34)11-7-19-15-29-22-9-5-17(12-21(22)27(19)32)18-6-10-24(28)30-14-18/h3-15H,1H2,2H3,(H2,28,30)(H,31,33)
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n/an/a 12.9n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400820
PNG
(QL-XII-45 | US10000483, Compound II-13)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)
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n/an/a 13n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400809
PNG
(QL-XII-115 | US10000483, Compound I-18)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C30H23N3O4/c1-3-28(34)32-25-16-22(8-4-18(25)2)33-29(35)11-7-21-17-31-24-9-5-19(14-23(24)30(21)33)20-6-10-26-27(15-20)37-13-12-36-26/h3-11,14-17H,1,12-13H2,2H3,(H,32,34)
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n/an/a 13n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400812
PNG
(QL-X-134 | US10000483, Compound II-5)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(N)nc1
Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-23-13-20(8-4-16(23)2)32-26(34)11-7-19-15-29-22-9-5-17(12-21(22)27(19)32)18-6-10-24(28)30-14-18/h3-15H,1H2,2H3,(H2,28,30)(H,31,33)
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n/an/a 13n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400820
PNG
(QL-XII-45 | US10000483, Compound II-13)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)
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n/an/a 13.3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400809
PNG
(QL-XII-115 | US10000483, Compound I-18)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C30H23N3O4/c1-3-28(34)32-25-16-22(8-4-18(25)2)33-29(35)11-7-21-17-31-24-9-5-19(14-23(24)30(21)33)20-6-10-26-27(15-20)37-13-12-36-26/h3-11,14-17H,1,12-13H2,2H3,(H,32,34)
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n/an/a 13.3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400810
PNG
(QL-XII-56 | US10000483, Compound II-3)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1
Show InChI InChI=1S/C26H21N5O2/c1-4-24(32)29-23-12-20(8-5-16(23)2)31-25(33)10-7-18-13-27-22-9-6-17(11-21(22)26(18)31)19-14-28-30(3)15-19/h4-15H,1H2,2-3H3,(H,29,32)
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n/an/a 14n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400814
PNG
(QL-X-132 | US10000483, Compound II-7)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(NC(=O)C=C)c4)c3c2c1
Show InChI InChI=1S/C26H19N5O2/c1-2-24(32)30-19-4-3-5-20(13-19)31-25(33)11-8-18-15-28-22-9-6-16(12-21(22)26(18)31)17-7-10-23(27)29-14-17/h2-15H,1H2,(H2,27,29)(H,30,32)
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n/an/a 15.7n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400799
PNG
(QL-XI-77 | US10000483, Compound I-7)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccccc1
Show InChI InChI=1S/C28H21N3O2/c1-3-26(32)30-25-16-22(12-9-18(25)2)31-27(33)14-11-21-17-29-24-13-10-20(15-23(24)28(21)31)19-7-5-4-6-8-19/h3-17H,1H2,2H3,(H,30,32)
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n/an/a 15.9n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400812
PNG
(QL-X-134 | US10000483, Compound II-5)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(N)nc1
Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-23-13-20(8-4-16(23)2)32-26(34)11-7-19-15-29-22-9-5-17(12-21(22)27(19)32)18-6-10-24(28)30-14-18/h3-15H,1H2,2H3,(H2,28,30)(H,31,33)
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n/an/a 16n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400814
PNG
(QL-X-132 | US10000483, Compound II-7)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(NC(=O)C=C)c4)c3c2c1
Show InChI InChI=1S/C26H19N5O2/c1-2-24(32)30-19-4-3-5-20(13-19)31-25(33)11-8-18-15-28-22-9-6-16(12-21(22)26(18)31)17-7-10-23(27)29-14-17/h2-15H,1H2,(H2,27,29)(H,30,32)
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n/an/a 16n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400799
PNG
(QL-XI-77 | US10000483, Compound I-7)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccccc1
Show InChI InChI=1S/C28H21N3O2/c1-3-26(32)30-25-16-22(12-9-18(25)2)31-27(33)14-11-21-17-29-24-13-10-20(15-23(24)28(21)31)19-7-5-4-6-8-19/h3-17H,1H2,2H3,(H,30,32)
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n/an/a 16n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400809
PNG
(QL-XII-115 | US10000483, Compound I-18)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C30H23N3O4/c1-3-28(34)32-25-16-22(8-4-18(25)2)33-29(35)11-7-21-17-31-24-9-5-19(14-23(24)30(21)33)20-6-10-26-27(15-20)37-13-12-36-26/h3-11,14-17H,1,12-13H2,2H3,(H,32,34)
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n/an/a 16n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400812
PNG
(QL-X-134 | US10000483, Compound II-5)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(N)nc1
Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-23-13-20(8-4-16(23)2)32-26(34)11-7-19-15-29-22-9-5-17(12-21(22)27(19)32)18-6-10-24(28)30-14-18/h3-15H,1H2,2H3,(H2,28,30)(H,31,33)
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n/an/a 17n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400817
PNG
(QL-XI-76 | US10000483, Compound II-10)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccoc1
Show InChI InChI=1S/C26H19N3O3/c1-3-24(30)28-23-13-20(7-4-16(23)2)29-25(31)9-6-18-14-27-22-8-5-17(12-21(22)26(18)29)19-10-11-32-15-19/h3-15H,1H2,2H3,(H,28,30)
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n/an/a 17n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400815
PNG
(QL-XI-13 | US10000483, Compound II-8)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C24H17N5O2/c1-2-22(30)28-18-4-3-5-19(11-18)29-23(31)9-7-16-12-25-21-8-6-15(10-20(21)24(16)29)17-13-26-27-14-17/h2-14H,1H2,(H,26,27)(H,28,30)
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n/an/a 18n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400802
PNG
(QL-XII-51 | US10000483, Compound I-11)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C33H30N4O4S/c1-5-30(38)36-17-16-22-6-11-25(19-29(22)36)37-31(39)15-10-24-20-34-28-14-9-23(18-27(28)32(24)37)21-7-12-26(13-8-21)42(40,41)35-33(2,3)4/h5-15,18-20,35H,1,16-17H2,2-4H3
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n/an/a 18n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400804
PNG
(QL-XII-58 | US10000483, Compound I-13)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(COc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C36H26F3N3O3/c1-3-33(43)41-32-19-28(14-7-22(32)2)42-34(44)16-13-26-20-40-31-15-12-25(17-30(31)35(26)42)24-10-8-23(9-11-24)21-45-29-6-4-5-27(18-29)36(37,38)39/h3-20H,1,21H2,2H3,(H,41,43)
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n/an/a 18.1n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400802
PNG
(QL-XII-51 | US10000483, Compound I-11)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C33H30N4O4S/c1-5-30(38)36-17-16-22-6-11-25(19-29(22)36)37-31(39)15-10-24-20-34-28-14-9-23(18-27(28)32(24)37)21-7-12-26(13-8-21)42(40,41)35-33(2,3)4/h5-15,18-20,35H,1,16-17H2,2-4H3
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n/an/a 18.1n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400822
PNG
(QL-XII-54 | US10000483, Compound II-16)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C31H22N4O2/c1-3-29(36)34-28-16-24(11-8-19(28)2)35-30(37)13-10-22-17-33-27-12-9-20(15-25(27)31(22)35)23-14-21-6-4-5-7-26(21)32-18-23/h3-18H,1H2,2H3,(H,34,36)
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n/an/a 18.5n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400822
PNG
(QL-XII-54 | US10000483, Compound II-16)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C31H22N4O2/c1-3-29(36)34-28-16-24(11-8-19(28)2)35-30(37)13-10-22-17-33-27-12-9-20(15-25(27)31(22)35)23-14-21-6-4-5-7-26(21)32-18-23/h3-18H,1H2,2H3,(H,34,36)
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n/an/a 19n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400814
PNG
(QL-X-132 | US10000483, Compound II-7)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(NC(=O)C=C)c4)c3c2c1
Show InChI InChI=1S/C26H19N5O2/c1-2-24(32)30-19-4-3-5-20(13-19)31-25(33)11-8-18-15-28-22-9-6-16(12-21(22)26(18)31)17-7-10-23(27)29-14-17/h2-15H,1H2,(H2,27,29)(H,30,32)
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n/an/a 19n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400814
PNG
(QL-X-132 | US10000483, Compound II-7)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(NC(=O)C=C)c4)c3c2c1
Show InChI InChI=1S/C26H19N5O2/c1-2-24(32)30-19-4-3-5-20(13-19)31-25(33)11-8-18-15-28-22-9-6-16(12-21(22)26(18)31)17-7-10-23(27)29-14-17/h2-15H,1H2,(H2,27,29)(H,30,32)
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n/an/a 19n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400816
PNG
(QL-XI-75 | US10000483, Compound II-9)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccsc1
Show InChI InChI=1S/C26H19N3O2S/c1-3-24(30)28-23-13-20(7-4-16(23)2)29-25(31)9-6-18-14-27-22-8-5-17(12-21(22)26(18)29)19-10-11-32-15-19/h3-15H,1H2,2H3,(H,28,30)
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n/an/a 19.7n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400816
PNG
(QL-XI-75 | US10000483, Compound II-9)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccsc1
Show InChI InChI=1S/C26H19N3O2S/c1-3-24(30)28-23-13-20(7-4-16(23)2)29-25(31)9-6-18-14-27-22-8-5-17(12-21(22)26(18)29)19-10-11-32-15-19/h3-15H,1H2,2H3,(H,28,30)
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n/an/a 20n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400813
PNG
(QL-X-138 | US10000483, Compound II-6)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h3-14H,1H2,2H3,(H,27,28)(H,29,31)
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n/an/a 22n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400799
PNG
(QL-XI-77 | US10000483, Compound I-7)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccccc1
Show InChI InChI=1S/C28H21N3O2/c1-3-26(32)30-25-16-22(12-9-18(25)2)31-27(33)14-11-21-17-29-24-13-10-20(15-23(24)28(21)31)19-7-5-4-6-8-19/h3-17H,1H2,2H3,(H,30,32)
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n/an/a 25n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400822
PNG
(QL-XII-54 | US10000483, Compound II-16)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C31H22N4O2/c1-3-29(36)34-28-16-24(11-8-19(28)2)35-30(37)13-10-22-17-33-27-12-9-20(15-25(27)31(22)35)23-14-21-6-4-5-7-26(21)32-18-23/h3-18H,1H2,2H3,(H,34,36)
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n/an/a 25n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM400820
PNG
(QL-XII-45 | US10000483, Compound II-13)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)
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n/an/a 27n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400807
PNG
(QL-XII-66 | US10000483, Compound I-16)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(\C=C\c3ccccc3)cc21
Show InChI InChI=1S/C30H23N3O2/c1-3-28(34)32-27-18-24(14-9-20(27)2)33-29(35)16-13-23-19-31-26-15-12-22(17-25(26)30(23)33)11-10-21-7-5-4-6-8-21/h3-19H,1H2,2H3,(H,32,34)/b11-10+
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n/an/a 27.8n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400804
PNG
(QL-XII-58 | US10000483, Compound I-13)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(COc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C36H26F3N3O3/c1-3-33(43)41-32-19-28(14-7-22(32)2)42-34(44)16-13-26-20-40-31-15-12-25(17-30(31)35(26)42)24-10-8-23(9-11-24)21-45-29-6-4-5-27(18-29)36(37,38)39/h3-20H,1,21H2,2H3,(H,41,43)
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n/an/a 28n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400807
PNG
(QL-XII-66 | US10000483, Compound I-16)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(\C=C\c3ccccc3)cc21
Show InChI InChI=1S/C30H23N3O2/c1-3-28(34)32-27-18-24(14-9-20(27)2)33-29(35)16-13-23-19-31-26-15-12-22(17-25(26)30(23)33)11-10-21-7-5-4-6-8-21/h3-19H,1H2,2H3,(H,32,34)/b11-10+
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n/an/a 28n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM400813
PNG
(QL-X-138 | US10000483, Compound II-6)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h3-14H,1H2,2H3,(H,27,28)(H,29,31)
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n/an/a 30n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400822
PNG
(QL-XII-54 | US10000483, Compound II-16)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C31H22N4O2/c1-3-29(36)34-28-16-24(11-8-19(28)2)35-30(37)13-10-22-17-33-27-12-9-20(15-25(27)31(22)35)23-14-21-6-4-5-7-26(21)32-18-23/h3-18H,1H2,2H3,(H,34,36)
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n/an/a 32n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400804
PNG
(QL-XII-58 | US10000483, Compound I-13)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(COc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C36H26F3N3O3/c1-3-33(43)41-32-19-28(14-7-22(32)2)42-34(44)16-13-26-20-40-31-15-12-25(17-30(31)35(26)42)24-10-8-23(9-11-24)21-45-29-6-4-5-27(18-29)36(37,38)39/h3-20H,1,21H2,2H3,(H,41,43)
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n/an/a 37n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM400813
PNG
(QL-X-138 | US10000483, Compound II-6)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h3-14H,1H2,2H3,(H,27,28)(H,29,31)
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n/an/a 38n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400816
PNG
(QL-XI-75 | US10000483, Compound II-9)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccsc1
Show InChI InChI=1S/C26H19N3O2S/c1-3-24(30)28-23-13-20(7-4-16(23)2)29-25(31)9-6-18-14-27-22-8-5-17(12-21(22)26(18)29)19-10-11-32-15-19/h3-15H,1H2,2H3,(H,28,30)
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n/an/a 39n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400800
PNG
(QL-XII-37 | US10000483, Compound I-8)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc(C)c(NC(=O)C=C)c4)c3c2c1
Show InChI InChI=1S/C30H25N5O3/c1-4-27(36)34-26-16-23(12-5-18(26)2)35-28(37)14-9-21-17-32-25-13-8-20(15-24(25)29(21)35)19-6-10-22(11-7-19)33-30(38)31-3/h4-17H,1H2,2-3H3,(H,34,36)(H2,31,33,38)
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n/an/a 40.6n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400806
PNG
(QL-XII-63 | US10000483, Compound I-15)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C29H22N4O3/c1-3-26(34)32-25-15-22(11-4-17(25)2)33-27(35)13-10-21-16-31-24-12-9-20(14-23(24)28(21)33)18-5-7-19(8-6-18)29(30)36/h3-16H,1H2,2H3,(H2,30,36)(H,32,34)
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n/an/a 41n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400815
PNG
(QL-XI-13 | US10000483, Compound II-8)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C24H17N5O2/c1-2-22(30)28-18-4-3-5-19(11-18)29-23(31)9-7-16-12-25-21-8-6-15(10-20(21)24(16)29)17-13-26-27-14-17/h2-14H,1H2,(H,26,27)(H,28,30)
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n/an/a 41n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
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n/an/a 49n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400824
PNG
(QL-XII-48 | US10000483, Compound I-9)
Show SMILES CNC(=O)c1ccc(c(F)c1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C31H23FN4O3/c1-3-28(37)35-13-12-18-4-8-22(16-27(18)35)36-29(38)11-7-21-17-34-26-10-6-19(14-24(26)30(21)36)23-9-5-20(15-25(23)32)31(39)33-2/h3-11,14-17H,1,12-13H2,2H3,(H,33,39)
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n/an/a 54n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM400821
PNG
(QL-XII-46 | US10000483, Compound II-14)
Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C26H19N5O2/c1-2-24(32)30-10-9-16-3-6-20(12-23(16)30)31-25(33)8-5-18-13-27-22-7-4-17(11-21(22)26(18)31)19-14-28-29-15-19/h2-8,11-15H,1,9-10H2,(H,28,29)
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n/an/a 57n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400819
PNG
(QL-XII-44 | US10000483, Compound II-12)
Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C32H22N4O2/c1-2-30(37)35-14-13-20-7-10-25(17-29(20)35)36-31(38)12-9-23-18-34-28-11-8-21(16-26(28)32(23)36)24-15-22-5-3-4-6-27(22)33-19-24/h2-12,15-19H,1,13-14H2
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n/an/a 59n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400818
PNG
(QL-XII-03 | US10000483, Compound II-11)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cccnc1
Show InChI InChI=1S/C27H20N4O2/c1-3-25(32)30-24-14-21(9-6-17(24)2)31-26(33)11-8-20-16-29-23-10-7-18(13-22(23)27(20)31)19-5-4-12-28-15-19/h3-16H,1H2,2H3,(H,30,32)
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n/an/a 66n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400800
PNG
(QL-XII-37 | US10000483, Compound I-8)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc(C)c(NC(=O)C=C)c4)c3c2c1
Show InChI InChI=1S/C30H25N5O3/c1-4-27(36)34-26-16-23(12-5-18(26)2)35-28(37)14-9-21-17-32-25-13-8-20(15-24(25)29(21)35)19-6-10-22(11-7-19)33-30(38)31-3/h4-17H,1H2,2-3H3,(H,34,36)(H2,31,33,38)
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n/an/a 66n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400818
PNG
(QL-XII-03 | US10000483, Compound II-11)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cccnc1
Show InChI InChI=1S/C27H20N4O2/c1-3-25(32)30-24-14-21(9-6-17(24)2)31-26(33)11-8-20-16-29-23-10-7-18(13-22(23)27(20)31)19-5-4-12-28-15-19/h3-16H,1H2,2H3,(H,30,32)
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n/an/a 66.1n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400806
PNG
(QL-XII-63 | US10000483, Compound I-15)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C29H22N4O3/c1-3-26(34)32-25-15-22(11-4-17(25)2)33-27(35)13-10-21-16-31-24-12-9-20(14-23(24)28(21)33)18-5-7-19(8-6-18)29(30)36/h3-16H,1H2,2H3,(H2,30,36)(H,32,34)
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n/an/a 79n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400820
PNG
(QL-XII-45 | US10000483, Compound II-13)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)
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n/an/a 98n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400807
PNG
(QL-XII-66 | US10000483, Compound I-16)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(\C=C\c3ccccc3)cc21
Show InChI InChI=1S/C30H23N3O2/c1-3-28(34)32-27-18-24(14-9-20(27)2)33-29(35)16-13-23-19-31-26-15-12-22(17-25(26)30(23)33)11-10-21-7-5-4-6-8-21/h3-19H,1H2,2H3,(H,32,34)/b11-10+
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n/an/a 105n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400818
PNG
(QL-XII-03 | US10000483, Compound II-11)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cccnc1
Show InChI InChI=1S/C27H20N4O2/c1-3-25(32)30-24-14-21(9-6-17(24)2)31-26(33)11-8-20-16-29-23-10-7-18(13-22(23)27(20)31)19-5-4-12-28-15-19/h3-16H,1H2,2H3,(H,30,32)
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n/an/a 115n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400808
PNG
(QL-XII-91 | US10000483, Compound I-17)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C34H31N5O2/c1-3-32(40)38-15-14-24-6-11-28(21-31(24)38)39-33(41)13-8-26-22-35-30-12-7-25(20-29(30)34(26)39)23-4-9-27(10-5-23)37-18-16-36(2)17-19-37/h3-13,20-22H,1,14-19H2,2H3
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n/an/a 155n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400803
PNG
(QL-XII-57 | US10000483, Compound I-12)
Show SMILES CNC(=O)c1ccc(c(F)c1)-c1ccc2ncc3ccc(=O)n(-c4ccc(C)c(NC(=O)C=C)c4)c3c2c1
Show InChI InChI=1S/C30H23FN4O3/c1-4-27(36)34-26-15-21(9-5-17(26)2)35-28(37)12-8-20-16-33-25-11-7-18(13-23(25)29(20)35)22-10-6-19(14-24(22)31)30(38)32-3/h4-16H,1H2,2-3H3,(H,32,38)(H,34,36)
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n/an/a 173n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400803
PNG
(QL-XII-57 | US10000483, Compound I-12)
Show SMILES CNC(=O)c1ccc(c(F)c1)-c1ccc2ncc3ccc(=O)n(-c4ccc(C)c(NC(=O)C=C)c4)c3c2c1
Show InChI InChI=1S/C30H23FN4O3/c1-4-27(36)34-26-15-21(9-5-17(26)2)35-28(37)12-8-20-16-33-25-11-7-18(13-23(25)29(20)35)22-10-6-19(14-24(22)31)30(38)32-3/h4-16H,1H2,2-3H3,(H,32,38)(H,34,36)
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n/an/a 173n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400810
PNG
(QL-XII-56 | US10000483, Compound II-3)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1
Show InChI InChI=1S/C26H21N5O2/c1-4-24(32)29-23-12-20(8-5-16(23)2)31-25(33)10-7-18-13-27-22-9-6-17(11-21(22)26(18)31)19-14-28-30(3)15-19/h4-15H,1H2,2-3H3,(H,29,32)
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n/an/a 173n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
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n/an/a 175n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50245587
PNG
(CHEMBL4077064 | US10000483, Compound II-4)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3
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n/an/a 195n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400821
PNG
(QL-XII-46 | US10000483, Compound II-14)
Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C26H19N5O2/c1-2-24(32)30-10-9-16-3-6-20(12-23(16)30)31-25(33)8-5-18-13-27-22-7-4-17(11-21(22)26(18)31)19-14-28-29-15-19/h2-8,11-15H,1,9-10H2,(H,28,29)
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n/an/a 209n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400799
PNG
(QL-XI-77 | US10000483, Compound I-7)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccccc1
Show InChI InChI=1S/C28H21N3O2/c1-3-26(32)30-25-16-22(12-9-18(25)2)31-27(33)14-11-21-17-29-24-13-10-20(15-23(24)28(21)31)19-7-5-4-6-8-19/h3-17H,1H2,2H3,(H,30,32)
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n/an/a 210n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM400821
PNG
(QL-XII-46 | US10000483, Compound II-14)
Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C26H19N5O2/c1-2-24(32)30-10-9-16-3-6-20(12-23(16)30)31-25(33)8-5-18-13-27-22-7-4-17(11-21(22)26(18)31)19-14-28-29-15-19/h2-8,11-15H,1,9-10H2,(H,28,29)
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n/an/a 247n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM400799
PNG
(QL-XI-77 | US10000483, Compound I-7)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccccc1
Show InChI InChI=1S/C28H21N3O2/c1-3-26(32)30-25-16-22(12-9-18(25)2)31-27(33)14-11-21-17-29-24-13-10-20(15-23(24)28(21)31)19-7-5-4-6-8-19/h3-17H,1H2,2H3,(H,30,32)
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n/an/a 250n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM400820
PNG
(QL-XII-45 | US10000483, Compound II-13)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)
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n/an/a 300n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
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n/an/a 325n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400825
PNG
(QL-XII-49 | US10000483, Compound II-15)
Show SMILES Nc1cc(c(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1)C(F)(F)F
Show InChI InChI=1S/C29H20F3N5O2/c1-2-26(38)36-10-9-16-3-6-19(12-24(16)36)37-27(39)8-5-18-14-34-23-7-4-17(11-20(23)28(18)37)21-15-35-25(33)13-22(21)29(30,31)32/h2-8,11-15H,1,9-10H2,(H2,33,35)
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n/an/a 337n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50245587
PNG
(CHEMBL4077064 | US10000483, Compound II-4)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3
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n/an/a 366n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400816
PNG
(QL-XI-75 | US10000483, Compound II-9)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccsc1
Show InChI InChI=1S/C26H19N3O2S/c1-3-24(30)28-23-13-20(7-4-16(23)2)29-25(31)9-6-18-14-27-22-8-5-17(12-21(22)26(18)29)19-10-11-32-15-19/h3-15H,1H2,2H3,(H,28,30)
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n/an/a 369n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
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n/an/a 377n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
CLK1/CLK2


(Homo sapiens (Human))
BDBM400813
PNG
(QL-X-138 | US10000483, Compound II-6)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h3-14H,1H2,2H3,(H,27,28)(H,29,31)
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n/an/a 384n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400808
PNG
(QL-XII-91 | US10000483, Compound I-17)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C34H31N5O2/c1-3-32(40)38-15-14-24-6-11-28(21-31(24)38)39-33(41)13-8-26-22-35-30-12-7-25(20-29(30)34(26)39)23-4-9-27(10-5-23)37-18-16-36(2)17-19-37/h3-13,20-22H,1,14-19H2,2H3
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n/an/a 399n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400808
PNG
(QL-XII-91 | US10000483, Compound I-17)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C34H31N5O2/c1-3-32(40)38-15-14-24-6-11-28(21-31(24)38)39-33(41)13-8-26-22-35-30-12-7-25(20-29(30)34(26)39)23-4-9-27(10-5-23)37-18-16-36(2)17-19-37/h3-13,20-22H,1,14-19H2,2H3
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n/an/a 399n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400823
PNG
(QL-XII-47-AL | US10000483, Compound II-20)
Show SMILES CN(C\C=C\CN1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1)CC#C
Show InChI InChI=1S/C32H30N6O/c1-4-14-35(2)15-5-6-16-37-17-13-23-7-10-27(19-30(23)37)38-31(39)12-9-25-20-33-29-11-8-24(18-28(29)32(25)38)26-21-34-36(3)22-26/h1,5-12,18-22H,13-17H2,2-3H3/b6-5+
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n/an/a 479n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400823
PNG
(QL-XII-47-AL | US10000483, Compound II-20)
Show SMILES CN(C\C=C\CN1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1)CC#C
Show InChI InChI=1S/C32H30N6O/c1-4-14-35(2)15-5-6-16-37-17-13-23-7-10-27(19-30(23)37)38-31(39)12-9-25-20-33-29-11-8-24(18-28(29)32(25)38)26-21-34-36(3)22-26/h1,5-12,18-22H,13-17H2,2-3H3/b6-5+
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n/an/a 479n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM400817
PNG
(QL-XI-76 | US10000483, Compound II-10)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccoc1
Show InChI InChI=1S/C26H19N3O3/c1-3-24(30)28-23-13-20(7-4-16(23)2)29-25(31)9-6-18-14-27-22-8-5-17(12-21(22)26(18)29)19-10-11-32-15-19/h3-15H,1H2,2H3,(H,28,30)
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n/an/a 492n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400808
PNG
(QL-XII-91 | US10000483, Compound I-17)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C34H31N5O2/c1-3-32(40)38-15-14-24-6-11-28(21-31(24)38)39-33(41)13-8-26-22-35-30-12-7-25(20-29(30)34(26)39)23-4-9-27(10-5-23)37-18-16-36(2)17-19-37/h3-13,20-22H,1,14-19H2,2H3
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n/an/a 516n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400802
PNG
(QL-XII-51 | US10000483, Compound I-11)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C33H30N4O4S/c1-5-30(38)36-17-16-22-6-11-25(19-29(22)36)37-31(39)15-10-24-20-34-28-14-9-23(18-27(28)32(24)37)21-7-12-26(13-8-21)42(40,41)35-33(2,3)4/h5-15,18-20,35H,1,16-17H2,2-4H3
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n/an/a 536n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400823
PNG
(QL-XII-47-AL | US10000483, Compound II-20)
Show SMILES CN(C\C=C\CN1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1)CC#C
Show InChI InChI=1S/C32H30N6O/c1-4-14-35(2)15-5-6-16-37-17-13-23-7-10-27(19-30(23)37)38-31(39)12-9-25-20-33-29-11-8-24(18-28(29)32(25)38)26-21-34-36(3)22-26/h1,5-12,18-22H,13-17H2,2-3H3/b6-5+
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n/an/a 641n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400809
PNG
(QL-XII-115 | US10000483, Compound I-18)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C30H23N3O4/c1-3-28(34)32-25-16-22(8-4-18(25)2)33-29(35)11-7-21-17-31-24-9-5-19(14-23(24)30(21)33)20-6-10-26-27(15-20)37-13-12-36-26/h3-11,14-17H,1,12-13H2,2H3,(H,32,34)
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n/an/a 642n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
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n/an/a 653n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (TAK1)


(Homo sapiens (Human))
BDBM400813
PNG
(QL-X-138 | US10000483, Compound II-6)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h3-14H,1H2,2H3,(H,27,28)(H,29,31)
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n/an/a 717n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400806
PNG
(QL-XII-63 | US10000483, Compound I-15)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C29H22N4O3/c1-3-26(34)32-25-15-22(11-4-17(25)2)33-27(35)13-10-21-16-31-24-12-9-20(14-23(24)28(21)33)18-5-7-19(8-6-18)29(30)36/h3-16H,1H2,2H3,(H2,30,36)(H,32,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM400801
PNG
(QL-XII-50 | US10000483, Compound I-10)
Show SMILES FC(F)(F)c1cccc(OCc2ccc(cc2)-c2ccc3ncc4ccc(=O)n(-c5ccc6CCN(C(=O)C=C)c6c5)c4c3c2)c1
Show InChI InChI=1S/C37H26F3N3O3/c1-2-34(44)42-17-16-25-10-13-29(20-33(25)42)43-35(45)15-12-27-21-41-32-14-11-26(18-31(32)36(27)43)24-8-6-23(7-9-24)22-46-30-5-3-4-28(19-30)37(38,39)40/h2-15,18-21H,1,16-17,22H2
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n/an/a 1.06E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50245587
PNG
(CHEMBL4077064 | US10000483, Compound II-4)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM400818
PNG
(QL-XII-03 | US10000483, Compound II-11)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cccnc1
Show InChI InChI=1S/C27H20N4O2/c1-3-25(32)30-24-14-21(9-6-17(24)2)31-26(33)11-8-20-16-29-23-10-7-18(13-22(23)27(20)31)19-5-4-12-28-15-19/h3-16H,1H2,2H3,(H,30,32)
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n/an/a 1.52E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM400818
PNG
(QL-XII-03 | US10000483, Compound II-11)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cccnc1
Show InChI InChI=1S/C27H20N4O2/c1-3-25(32)30-24-14-21(9-6-17(24)2)31-26(33)11-8-20-16-29-23-10-7-18(13-22(23)27(20)31)19-5-4-12-28-15-19/h3-16H,1H2,2H3,(H,30,32)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM400821
PNG
(QL-XII-46 | US10000483, Compound II-14)
Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C26H19N5O2/c1-2-24(32)30-10-9-16-3-6-20(12-23(16)30)31-25(33)8-5-18-13-27-22-7-4-17(11-21(22)26(18)31)19-14-28-29-15-19/h2-8,11-15H,1,9-10H2,(H,28,29)
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n/an/a 2.15E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (TAK1)


(Homo sapiens (Human))
BDBM50245587
PNG
(CHEMBL4077064 | US10000483, Compound II-4)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3
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n/an/a>3.30E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (TAK1)


(Homo sapiens (Human))
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
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n/an/a>3.30E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM400800
PNG
(QL-XII-37 | US10000483, Compound I-8)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc(C)c(NC(=O)C=C)c4)c3c2c1
Show InChI InChI=1S/C30H25N5O3/c1-4-27(36)34-26-16-23(12-5-18(26)2)35-28(37)14-9-21-17-32-25-13-8-20(15-24(25)29(21)35)19-6-10-22(11-7-19)33-30(38)31-3/h4-17H,1H2,2-3H3,(H,34,36)(H2,31,33,38)
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n/an/a 4.17E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM400817
PNG
(QL-XI-76 | US10000483, Compound II-10)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccoc1
Show InChI InChI=1S/C26H19N3O3/c1-3-24(30)28-23-13-20(7-4-16(23)2)29-25(31)9-6-18-14-27-22-8-5-17(12-21(22)26(18)29)19-10-11-32-15-19/h3-15H,1H2,2H3,(H,28,30)
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n/an/a 4.79E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50245587
PNG
(CHEMBL4077064 | US10000483, Compound II-4)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3
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n/an/a 5.18E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM400808
PNG
(QL-XII-91 | US10000483, Compound I-17)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C34H31N5O2/c1-3-32(40)38-15-14-24-6-11-28(21-31(24)38)39-33(41)13-8-26-22-35-30-12-7-25(20-29(30)34(26)39)23-4-9-27(10-5-23)37-18-16-36(2)17-19-37/h3-13,20-22H,1,14-19H2,2H3
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n/an/a 5.58E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM400820
PNG
(QL-XII-45 | US10000483, Compound II-13)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.64E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400801
PNG
(QL-XII-50 | US10000483, Compound I-10)
Show SMILES FC(F)(F)c1cccc(OCc2ccc(cc2)-c2ccc3ncc4ccc(=O)n(-c5ccc6CCN(C(=O)C=C)c6c5)c4c3c2)c1
Show InChI InChI=1S/C37H26F3N3O3/c1-2-34(44)42-17-16-25-10-13-29(20-33(25)42)43-35(45)15-12-27-21-41-32-14-11-26(18-31(32)36(27)43)24-8-6-23(7-9-24)22-46-30-5-3-4-28(19-30)37(38,39)40/h2-15,18-21H,1,16-17,22H2
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...


US Patent US10000483 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM400801
PNG
(QL-XII-50 | US10000483, Compound I-10)
Show SMILES FC(F)(F)c1cccc(OCc2ccc(cc2)-c2ccc3ncc4ccc(=O)n(-c5ccc6CCN(C(=O)C=C)c6c5)c4c3c2)c1
Show InChI InChI=1S/C37H26F3N3O3/c1-2-34(44)42-17-16-25-10-13-29(20-33(25)42)43-35(45)15-12-27-21-41-32-14-11-26(18-31(32)36(27)43)24-8-6-23(7-9-24)22-46-30-5-3-4-28(19-30)37(38,39)40/h2-15,18-21H,1,16-17,22H2
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.; Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...


US Patent US10000483 (2018)

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