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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 470.5
BDBM451821

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 14 hits in this display   
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
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
PDB

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UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)


BindingDB Entry DOI: 10.7270/Q2DF6V81
More data for this
Ligand-Target Pair
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures autophosphorylation using the ADP-Glo Kinase Assay (Promega, V9101) was set-up for wild-type ALK2 (aa172-49...


US Patent US10947218 (2021)


BindingDB Entry DOI: 10.7270/Q24F1TVV
More data for this
Ligand-Target Pair
Activin receptor type-1 [172-499,R206H]


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
PDB

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US Patent
n/an/a 14n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...


US Patent US10710980 (2020)


BindingDB Entry DOI: 10.7270/Q2DF6V81
More data for this
Ligand-Target Pair
Activin receptor type-1 [172-499,R206H]


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
PDB

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US Patent
n/an/a 14n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...


US Patent US10947218 (2021)


BindingDB Entry DOI: 10.7270/Q24F1TVV
More data for this
Ligand-Target Pair
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
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UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...


US Patent US10710980 (2020)


BindingDB Entry DOI: 10.7270/Q2DF6V81
More data for this
Ligand-Target Pair
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
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PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...


US Patent US10947218 (2021)


BindingDB Entry DOI: 10.7270/Q24F1TVV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 [166-493]


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...


US Patent US10947218 (2021)


BindingDB Entry DOI: 10.7270/Q24F1TVV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 [166-493]


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
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Novartis AG

US Patent


Assay Description
In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...


US Patent US10710980 (2020)


BindingDB Entry DOI: 10.7270/Q2DF6V81
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A [198-525]


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures autophosphorylation using the ADP-Glo Kinase Assay (Promega, V9101) was set-up for wild-type ALK2 (aa172-49...


US Patent US10947218 (2021)


BindingDB Entry DOI: 10.7270/Q24F1TVV
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A [198-525]


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)


BindingDB Entry DOI: 10.7270/Q2DF6V81
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.10E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...


US Patent US10947218 (2021)


BindingDB Entry DOI: 10.7270/Q24F1TVV
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.10E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...


US Patent US10710980 (2020)


BindingDB Entry DOI: 10.7270/Q2DF6V81
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [162-503]


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...


US Patent US10947218 (2021)


BindingDB Entry DOI: 10.7270/Q24F1TVV
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [162-503]


(Homo sapiens (Human))
BDBM451821
PNG
(US10710980, Example 50 | US10947218, Example 50)
Show SMILES CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Show InChI InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)/t19-,20-,21-,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...


US Patent US10710980 (2020)


BindingDB Entry DOI: 10.7270/Q2DF6V81
More data for this
Ligand-Target Pair