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SMILES: Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2

InChI Key: InChIKey=FCURQEMLQWEPFI-VWDBNSKXSA-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 = 451773   
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))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 7n/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)

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A [198-525]


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
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UniChem
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n/an/a 1.10E+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)

More data for this
Ligand-Target Pair
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
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UniChem
US Patent
n/an/a 10n/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)

More data for this
Ligand-Target Pair
Activin receptor type-1 [172-499,R206H]


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
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UniChem
US Patent
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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 [166-493]


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 81n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [162-503]


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
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UniChem
US Patent
n/an/a 2.20E+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)

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
PDB

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antibodypedia
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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)

More data for this
Ligand-Target Pair
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
PDB

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n/an/a 7n/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)

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A [198-525]


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
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UniChem
US Patent
n/an/a 1.10E+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)

More data for this
Ligand-Target Pair
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
PDB

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US Patent
n/an/a 10n/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)

More data for this
Ligand-Target Pair
Activin receptor type-1 [172-499,R206H]


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 [166-493]


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
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n/an/a 81n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [162-503]


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
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n/an/a 2.20E+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)

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5 | US10947218, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
PDB

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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)

More data for this
Ligand-Target Pair