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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 448.5
BDBM451794

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))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/s1
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n/an/a 18n/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))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/s1
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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]


(Homo sapiens (Human))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/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
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/s1
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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,R206H]


(Homo sapiens (Human))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/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
Activin receptor type-1 [172-499,R206H]


(Homo sapiens (Human))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/s1
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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))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/s1
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n/an/a 230n/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))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/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))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/s1
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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))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/s1
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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))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.50E+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))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.50E+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))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30E+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))
BDBM451794
PNG
(US10710980, Example 26 | US10947218, Example 26)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|
Show InChI InChI=1S/C26H32N4O3/c27-24-23(25(32)29-20-5-7-22(31)8-6-20)9-17(11-28-24)16-1-3-18(4-2-16)26-10-19(26)12-30(15-26)21-13-33-14-21/h1-4,9,11,19-22,31H,5-8,10,12-15H2,(H2,27,28)(H,29,32)/t19-,20-,22-,26+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30E+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