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SMILES: Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2

InChI Key: InChIKey=MOTRKLJWPDOTBN-YCFYUYSTSA-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 = 451819   
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))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/m1/s1
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n/an/a 8n/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))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/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))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/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
Activin receptor type-1 [172-499,R206H]


(Homo sapiens (Human))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/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
Serine/threonine-protein kinase receptor R3 [166-493]


(Homo sapiens (Human))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/m1/s1
PDB
MMDB

NCI pathway
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KEGG

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n/an/a 120n/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))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/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-1B


(Homo sapiens (Human))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/m1/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))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/m1/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))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/m1/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))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/m1/s1
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n/an/a 34n/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))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/m1/s1
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Serine/threonine-protein kinase receptor R3 [166-493]


(Homo sapiens (Human))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/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 120n/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))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.30E+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
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM451819
PNG
(US10710980, Example 48 | US10947218, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.40E+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