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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
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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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Similars

US Patent
n/an/a 5.18E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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

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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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)
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n/an/a 5.64E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
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
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute 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)


BindingDB Entry DOI: 10.7270/Q2QF8W63
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%