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SMILES: COCCN1C[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=NJSRQYMTTJJEJH-BILGYAHESA-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 14 hits for monomerid = 451847   
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))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/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-1A [198-525]


(Homo sapiens (Human))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/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
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
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n/an/a 140n/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))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
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n/an/a 18n/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))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
PDB
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n/an/a 210n/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))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
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n/an/a 4.60E+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))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
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n/an/a 7.70E+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))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,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
Bone morphogenetic protein receptor type-1A [198-525]


(Homo sapiens (Human))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
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n/an/a 1.80E+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))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
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n/an/a 140n/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))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/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))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/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))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60E+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))
BDBM451847
PNG
(US10710980, Example 75 | US10947218, Example 75)
Show SMILES COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.70E+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