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

InChI Key: InChIKey=MKKQYAXMQPGYNY-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 = 451825   
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))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(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))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
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n/an/a 920n/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))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
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n/an/a 33n/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))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(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))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
PDB
MMDB

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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
TGF-beta receptor type-1 [162-503]


(Homo sapiens (Human))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/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))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
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n/an/a 3.50E+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
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(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))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
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n/an/a 920n/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))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
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n/an/a 33n/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))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m1/s1
PDB

UniProtKB/SwissProt

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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))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(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
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PC cid
PC sid
UniChem
US Patent
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
TGF-beta receptor type-1 [162-503]


(Homo sapiens (Human))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(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 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))
BDBM451825
PNG
(US10710980, Example 54 | US10947218, Example 54)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Show InChI InChI=1S/C26H30N4O2/c1-2-11-30-15-20-13-26(20,16-30)19-5-3-17(4-6-19)18-12-23(24(27)28-14-18)25(32)29-21-7-9-22(31)10-8-21/h1,3-6,12,14,20-22,31H,7-11,13,15-16H2,(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 3.50E+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