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SMILES: CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=HZFKGEGMOFIQKL-OYSWMMLKSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 451777   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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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
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,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]


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 11n/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))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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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
Serine/threonine-protein kinase receptor R3 [166-493]


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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n/an/a 127n/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))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 3.13E+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
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
PDB

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n/an/a 3.13E+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
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/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
Bone morphogenetic protein receptor type-1A [198-525]


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 1.60E+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
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 37n/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))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 8.30E+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
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/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 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))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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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
Serine/threonine-protein kinase receptor R3 [166-493]


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 127n/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))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 3.13E+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))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 3.13E+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
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 109n/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,R206H]


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 43n/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))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 310n/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))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 7.80E+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-1A [198-525]


(Homo sapiens (Human))
BDBM451777
PNG
(US10710980, Example 9 | US10947218, Example 9)
Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60E+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