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SMILES: CC#CCN1C[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=BBWFHMVFMVFXJP-RNLGNXJRSA-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 = 451805   
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))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/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)

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


(Homo sapiens (Human))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
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n/an/a 960n/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))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
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n/an/a 27n/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))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/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)

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


(Homo sapiens (Human))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
PDB
MMDB

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n/an/a 100n/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))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
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n/an/a 1.10E+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))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
PDB

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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)

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


(Homo sapiens (Human))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
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n/an/a 8n/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))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
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n/an/a 960n/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))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
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n/an/a 27n/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))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem
US Patent
n/an/a 100n/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))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
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 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))
BDBM451805
PNG
(US10710980, Example 37 | US10947218, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
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UniChem
US Patent
n/an/a 1.70E+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)

More data for this
Ligand-Target Pair