Found 228 hits of ic50 data for polymerid = 890 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase receptor R3 [166-493]
(Homo sapiens (Human)) | BDBM451789
(US10710980, Example 21 | US10947218, Example 21)Show SMILES Nc1ncc(cc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](F)C1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H35FN4O3/c29-24-12-21(5-6-25(24)34)32-27(35)23-11-18(14-31-26(23)30)17-1-3-19(4-2-17)28-13-20(28)15-33(16-28)22-7-9-36-10-8-22/h1-4,11,14,20-22,24-25,34H,5-10,12-13,15-16H2,(H2,30,31)(H,32,35)/t20-,21-,24+,25-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451789
(US10710980, Example 21 | US10947218, Example 21)Show SMILES Nc1ncc(cc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](F)C1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H35FN4O3/c29-24-12-21(5-6-25(24)34)32-27(35)23-11-18(14-31-26(23)30)17-1-3-19(4-2-17)28-13-20(28)15-33(16-28)22-7-9-36-10-8-22/h1-4,11,14,20-22,24-25,34H,5-10,12-13,15-16H2,(H2,30,31)(H,32,35)/t20-,21-,24+,25-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451769
(US10710980, Example 1 | US10947218, Example 1)Show SMILES CS(=O)(=O)N1CCC(CC1)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:14.18,32.36,wD:12.13,35.40,(7.28,-6.06,;8.77,-5.66,;8.77,-7.2,;10.26,-5.27,;8.14,-4.26,;6.61,-4.1,;5.99,-2.69,;6.89,-1.44,;8.42,-1.6,;9.05,-3.01,;6.27,-.04,;7.04,1.3,;6,2.44,;4.76,3.35,;4.6,1.81,;4.76,.28,;3.26,2.58,;1.93,1.81,;.6,2.58,;.6,4.12,;1.93,4.89,;3.26,4.12,;-.74,4.89,;-.74,6.43,;-2.07,7.2,;-3.4,6.43,;-4.74,7.2,;-3.4,4.89,;-2.07,4.12,;-4.74,4.12,;-6.07,4.89,;-4.74,2.58,;-6.07,1.81,;-6.21,.28,;-7.6,-.37,;-8.86,.51,;-10.26,-.14,;-8.73,2.05,;-7.33,2.7,)| Show InChI InChI=1S/C29H39N5O4S/c1-39(37,38)34-12-10-24(11-13-34)33-17-22-15-29(22,18-33)21-4-2-19(3-5-21)20-14-26(27(30)31-16-20)28(36)32-23-6-8-25(35)9-7-23/h2-5,14,16,22-25,35H,6-13,15,17-18H2,1H3,(H2,30,31)(H,32,36)/t22-,23-,25-,29+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451769
(US10710980, Example 1 | US10947218, Example 1)Show SMILES CS(=O)(=O)N1CCC(CC1)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:14.18,32.36,wD:12.13,35.40,(7.28,-6.06,;8.77,-5.66,;8.77,-7.2,;10.26,-5.27,;8.14,-4.26,;6.61,-4.1,;5.99,-2.69,;6.89,-1.44,;8.42,-1.6,;9.05,-3.01,;6.27,-.04,;7.04,1.3,;6,2.44,;4.76,3.35,;4.6,1.81,;4.76,.28,;3.26,2.58,;1.93,1.81,;.6,2.58,;.6,4.12,;1.93,4.89,;3.26,4.12,;-.74,4.89,;-.74,6.43,;-2.07,7.2,;-3.4,6.43,;-4.74,7.2,;-3.4,4.89,;-2.07,4.12,;-4.74,4.12,;-6.07,4.89,;-4.74,2.58,;-6.07,1.81,;-6.21,.28,;-7.6,-.37,;-8.86,.51,;-10.26,-.14,;-8.73,2.05,;-7.33,2.7,)| Show InChI InChI=1S/C29H39N5O4S/c1-39(37,38)34-12-10-24(11-13-34)33-17-22-15-29(22,18-33)21-4-2-19(3-5-21)20-14-26(27(30)31-16-20)28(36)32-23-6-8-25(35)9-7-23/h2-5,14,16,22-25,35H,6-13,15,17-18H2,1H3,(H2,30,31)(H,32,36)/t22-,23-,25-,29+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451773
(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
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451773
(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
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451778
(US10710980, Example 10 | US10947218, Example 10)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCN1CCOCC1)C2 |r,wU:23.25,10.10,wD:25.27,13.14,(-5.42,6.3,;-4.09,5.53,;-2.75,6.3,;-1.42,5.53,;-1.42,3.99,;-2.75,3.22,;-4.09,3.99,;-5.42,3.22,;-6.76,3.99,;-5.42,1.68,;-6.76,.91,;-6.89,-.63,;-8.29,-1.28,;-9.55,-.39,;-10.75,-1.04,;-9.41,1.14,;-8.02,1.79,;-.09,3.22,;-.09,1.68,;1.25,.91,;2.58,1.68,;2.58,3.22,;1.25,3.99,;3.91,.91,;4.07,2.44,;5.32,1.53,;6.35,.39,;5.58,-.94,;6.21,-2.35,;7.74,-2.34,;8.44,-3.63,;7.67,-4.96,;8.44,-6.3,;9.98,-6.3,;10.75,-4.96,;9.98,-3.63,;4.07,-.62,)| Show InChI InChI=1S/C29H39N5O3/c30-27-26(28(36)32-24-5-7-25(35)8-6-24)15-21(17-31-27)20-1-3-22(4-2-20)29-16-23(29)18-34(19-29)10-9-33-11-13-37-14-12-33/h1-4,15,17,23-25,35H,5-14,16,18-19H2,(H2,30,31)(H,32,36)/t23-,24-,25-,29+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451778
(US10710980, Example 10 | US10947218, Example 10)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCN1CCOCC1)C2 |r,wU:23.25,10.10,wD:25.27,13.14,(-5.42,6.3,;-4.09,5.53,;-2.75,6.3,;-1.42,5.53,;-1.42,3.99,;-2.75,3.22,;-4.09,3.99,;-5.42,3.22,;-6.76,3.99,;-5.42,1.68,;-6.76,.91,;-6.89,-.63,;-8.29,-1.28,;-9.55,-.39,;-10.75,-1.04,;-9.41,1.14,;-8.02,1.79,;-.09,3.22,;-.09,1.68,;1.25,.91,;2.58,1.68,;2.58,3.22,;1.25,3.99,;3.91,.91,;4.07,2.44,;5.32,1.53,;6.35,.39,;5.58,-.94,;6.21,-2.35,;7.74,-2.34,;8.44,-3.63,;7.67,-4.96,;8.44,-6.3,;9.98,-6.3,;10.75,-4.96,;9.98,-3.63,;4.07,-.62,)| Show InChI InChI=1S/C29H39N5O3/c30-27-26(28(36)32-24-5-7-25(35)8-6-24)15-21(17-31-27)20-1-3-22(4-2-20)29-16-23(29)18-34(19-29)10-9-33-11-13-37-14-12-33/h1-4,15,17,23-25,35H,5-14,16,18-19H2,(H2,30,31)(H,32,36)/t23-,24-,25-,29+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451770
(US10710980, Example 2 | US10947218, Example 2)Show SMILES CC(C)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:7.10,25.28,wD:5.5,28.32,(6.7,-4.95,;7.61,-3.7,;9.14,-3.86,;6.98,-2.29,;7.75,-.96,;6.72,.18,;5.48,1.09,;5.31,-.44,;5.48,-1.97,;3.98,.33,;2.65,-.44,;1.31,.33,;1.31,1.87,;2.65,2.64,;3.98,1.87,;-.02,2.64,;-.02,4.18,;-1.35,4.95,;-2.69,4.18,;-4.02,4.95,;-2.69,2.64,;-1.35,1.87,;-4.02,1.87,;-5.36,2.64,;-4.02,.33,;-5.36,-.44,;-5.22,-1.98,;-6.48,-2.86,;-7.88,-2.21,;-9.14,-3.09,;-8.01,-.68,;-6.75,.21,)| Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(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/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451770
(US10710980, Example 2 | US10947218, Example 2)Show SMILES CC(C)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:7.10,25.28,wD:5.5,28.32,(6.7,-4.95,;7.61,-3.7,;9.14,-3.86,;6.98,-2.29,;7.75,-.96,;6.72,.18,;5.48,1.09,;5.31,-.44,;5.48,-1.97,;3.98,.33,;2.65,-.44,;1.31,.33,;1.31,1.87,;2.65,2.64,;3.98,1.87,;-.02,2.64,;-.02,4.18,;-1.35,4.95,;-2.69,4.18,;-4.02,4.95,;-2.69,2.64,;-1.35,1.87,;-4.02,1.87,;-5.36,2.64,;-4.02,.33,;-5.36,-.44,;-5.22,-1.98,;-6.48,-2.86,;-7.88,-2.21,;-9.14,-3.09,;-8.01,-.68,;-6.75,.21,)| Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(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/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451805
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451805
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451787
(US10710980, Example 19 | US10947218, Example 19)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-3.92,5.73,;-2.58,4.96,;-1.25,5.73,;.08,4.96,;.08,3.42,;-1.25,2.65,;-2.58,3.42,;-3.92,2.65,;-5.25,3.42,;-3.92,1.11,;-5.41,.71,;-5.8,-.77,;-7.29,-1.17,;-8.38,-.08,;-9.87,-.48,;-7.98,1.4,;-6.5,1.8,;1.42,2.65,;1.42,1.11,;2.75,.34,;4.08,1.11,;4.08,2.65,;2.75,3.42,;5.42,.34,;5.58,1.87,;6.82,.97,;7.85,-.18,;7.08,-1.51,;5.58,-1.19,;7.71,-2.92,;6.81,-4.16,;7.43,-5.57,;8.96,-5.73,;9.87,-4.49,;9.24,-3.08,)| Show InChI InChI=1S/C28H36N4O3/c29-26-25(27(34)31-22-5-7-24(33)8-6-22)13-19(15-30-26)18-1-3-20(4-2-18)28-14-21(28)16-32(17-28)23-9-11-35-12-10-23/h1-4,13,15,21-24,33H,5-12,14,16-17H2,(H2,29,30)(H,31,34)/t21-,22-,24-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451787
(US10710980, Example 19 | US10947218, Example 19)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-3.92,5.73,;-2.58,4.96,;-1.25,5.73,;.08,4.96,;.08,3.42,;-1.25,2.65,;-2.58,3.42,;-3.92,2.65,;-5.25,3.42,;-3.92,1.11,;-5.41,.71,;-5.8,-.77,;-7.29,-1.17,;-8.38,-.08,;-9.87,-.48,;-7.98,1.4,;-6.5,1.8,;1.42,2.65,;1.42,1.11,;2.75,.34,;4.08,1.11,;4.08,2.65,;2.75,3.42,;5.42,.34,;5.58,1.87,;6.82,.97,;7.85,-.18,;7.08,-1.51,;5.58,-1.19,;7.71,-2.92,;6.81,-4.16,;7.43,-5.57,;8.96,-5.73,;9.87,-4.49,;9.24,-3.08,)| Show InChI InChI=1S/C28H36N4O3/c29-26-25(27(34)31-22-5-7-24(33)8-6-22)13-19(15-30-26)18-1-3-20(4-2-18)28-14-21(28)16-32(17-28)23-9-11-35-12-10-23/h1-4,13,15,21-24,33H,5-12,14,16-17H2,(H2,29,30)(H,31,34)/t21-,22-,24-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451785
(US10710980, Example 17 | US10947218, Example 17)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCC(F)(F)F)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.76,5.73,;-3.43,4.96,;-2.1,5.73,;-.76,4.96,;-.76,3.42,;-2.1,2.65,;-3.43,3.42,;-4.76,2.65,;-6.1,3.42,;-4.76,1.11,;-6.25,.72,;-6.65,-.77,;-8.14,-1.17,;-9.23,-.08,;-10.72,-.48,;-8.83,1.41,;-7.34,1.81,;.57,2.65,;.57,1.11,;1.9,.34,;3.24,1.11,;3.24,2.65,;1.9,3.42,;4.57,.34,;4.73,1.88,;5.98,.97,;7.01,-.17,;6.24,-1.51,;6.86,-2.91,;8.41,-2.91,;9.18,-4.25,;10.72,-4.25,;8.41,-5.58,;9.57,-5.73,;4.73,-1.19,)| Show InChI InChI=1S/C26H31F3N4O2/c27-26(28,29)9-10-33-14-19-12-25(19,15-33)18-3-1-16(2-4-18)17-11-22(23(30)31-13-17)24(35)32-20-5-7-21(34)8-6-20/h1-4,11,13,19-21,34H,5-10,12,14-15H2,(H2,30,31)(H,32,35)/t19-,20-,21-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451785
(US10710980, Example 17 | US10947218, Example 17)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCC(F)(F)F)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.76,5.73,;-3.43,4.96,;-2.1,5.73,;-.76,4.96,;-.76,3.42,;-2.1,2.65,;-3.43,3.42,;-4.76,2.65,;-6.1,3.42,;-4.76,1.11,;-6.25,.72,;-6.65,-.77,;-8.14,-1.17,;-9.23,-.08,;-10.72,-.48,;-8.83,1.41,;-7.34,1.81,;.57,2.65,;.57,1.11,;1.9,.34,;3.24,1.11,;3.24,2.65,;1.9,3.42,;4.57,.34,;4.73,1.88,;5.98,.97,;7.01,-.17,;6.24,-1.51,;6.86,-2.91,;8.41,-2.91,;9.18,-4.25,;10.72,-4.25,;8.41,-5.58,;9.57,-5.73,;4.73,-1.19,)| Show InChI InChI=1S/C26H31F3N4O2/c27-26(28,29)9-10-33-14-19-12-25(19,15-33)18-3-1-16(2-4-18)17-11-22(23(30)31-13-17)24(35)32-20-5-7-21(34)8-6-20/h1-4,11,13,19-21,34H,5-10,12,14-15H2,(H2,30,31)(H,32,35)/t19-,20-,21-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451822
(US10710980, Example 51 | US10947218, Example 51)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCC#N)C2 |r,wU:10.10,25.27,wD:23.25,13.14,(-4.72,5.67,;-3.39,4.9,;-2.05,5.67,;-.72,4.9,;-.72,3.36,;-2.05,2.59,;-3.39,3.36,;-4.72,2.59,;-6.06,3.36,;-4.72,1.05,;-6.06,.28,;-6.19,-1.26,;-7.59,-1.91,;-8.85,-1.03,;-10.07,-1.64,;-8.71,.51,;-7.32,1.16,;.61,2.59,;.61,1.05,;1.95,.28,;3.28,1.05,;3.28,2.59,;1.95,3.36,;4.61,.28,;4.77,1.81,;6.02,.9,;7.05,-.24,;6.28,-1.58,;7.05,-2.91,;8.48,-2.91,;9.25,-4.24,;10.07,-5.67,;4.77,-1.26,)| Show InChI InChI=1S/C26H31N5O2/c27-10-1-11-31-15-20-13-26(20,16-31)19-4-2-17(3-5-19)18-12-23(24(28)29-14-18)25(33)30-21-6-8-22(32)9-7-21/h2-5,12,14,20-22,32H,1,6-9,11,13,15-16H2,(H2,28,29)(H,30,33)/t20-,21-,22-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451819
(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/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451819
(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/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451822
(US10710980, Example 51 | US10947218, Example 51)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCC#N)C2 |r,wU:10.10,25.27,wD:23.25,13.14,(-4.72,5.67,;-3.39,4.9,;-2.05,5.67,;-.72,4.9,;-.72,3.36,;-2.05,2.59,;-3.39,3.36,;-4.72,2.59,;-6.06,3.36,;-4.72,1.05,;-6.06,.28,;-6.19,-1.26,;-7.59,-1.91,;-8.85,-1.03,;-10.07,-1.64,;-8.71,.51,;-7.32,1.16,;.61,2.59,;.61,1.05,;1.95,.28,;3.28,1.05,;3.28,2.59,;1.95,3.36,;4.61,.28,;4.77,1.81,;6.02,.9,;7.05,-.24,;6.28,-1.58,;7.05,-2.91,;8.48,-2.91,;9.25,-4.24,;10.07,-5.67,;4.77,-1.26,)| Show InChI InChI=1S/C26H31N5O2/c27-10-1-11-31-15-20-13-26(20,16-31)19-4-2-17(3-5-19)18-12-23(24(28)29-14-18)25(33)30-21-6-8-22(32)9-7-21/h2-5,12,14,20-22,32H,1,6-9,11,13,15-16H2,(H2,28,29)(H,30,33)/t20-,21-,22-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451777
(US10710980, Example 9 | US10947218, Example 9)Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)| Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451777
(US10710980, Example 9 | US10947218, Example 9)Show SMILES CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)| Show InChI InChI=1S/C26H34N4O2/c1-16(2)30-14-20-12-26(20,15-30)19-5-3-17(4-6-19)18-11-23(24(27)28-13-18)25(32)29-21-7-9-22(31)10-8-21/h3-6,11,13,16,20-22,31H,7-10,12,14-15H2,1-2H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451793
(US10710980, Example 25 | US10947218, Example 25)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCC(F)(F)CC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-4.21,6.43,;-2.88,5.66,;-1.54,6.43,;-.21,5.66,;-.21,4.12,;-1.54,3.35,;-2.88,4.12,;-4.21,3.35,;-5.54,4.12,;-4.21,1.81,;-5.7,1.42,;-6.1,-.07,;-7.58,-.47,;-8.67,.62,;-10.16,.22,;-8.27,2.11,;-6.79,2.5,;1.12,3.35,;1.12,1.81,;2.46,1.04,;3.79,1.81,;3.79,3.35,;2.46,4.12,;5.13,1.04,;5.29,2.58,;6.53,1.67,;7.56,.53,;6.79,-.81,;5.29,-.49,;7.42,-2.21,;6.51,-3.46,;7.14,-4.87,;8.67,-5.03,;9.3,-6.43,;10.16,-5.43,;9.58,-3.78,;8.95,-2.37,)| Show InChI InChI=1S/C29H36F2N4O2/c30-29(31)11-9-23(10-12-29)35-16-21-14-28(21,17-35)20-3-1-18(2-4-20)19-13-25(26(32)33-15-19)27(37)34-22-5-7-24(36)8-6-22/h1-4,13,15,21-24,36H,5-12,14,16-17H2,(H2,32,33)(H,34,37)/t21-,22-,24-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451788
(US10710980, Example 20 | US10947218, Example 20)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:6.6,26.29,wD:8.11,29.33,(10.71,-4.99,;9.18,-4.99,;8.41,-3.66,;6.86,-3.66,;6.24,-2.25,;7.01,-.92,;5.98,.23,;4.73,1.13,;4.57,-.4,;4.73,-1.93,;3.24,.37,;1.9,-.4,;.57,.37,;.57,1.91,;1.9,2.68,;3.24,1.91,;-.76,2.68,;-.76,4.22,;-2.1,4.99,;-3.43,4.22,;-4.76,4.99,;-3.43,2.68,;-2.1,1.91,;-4.76,1.91,;-6.1,2.68,;-4.76,.37,;-6.25,-.03,;-6.65,-1.51,;-8.14,-1.91,;-9.23,-.82,;-10.71,-1.22,;-8.83,.66,;-7.34,1.06,)| 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+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451793
(US10710980, Example 25 | US10947218, Example 25)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCC(F)(F)CC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-4.21,6.43,;-2.88,5.66,;-1.54,6.43,;-.21,5.66,;-.21,4.12,;-1.54,3.35,;-2.88,4.12,;-4.21,3.35,;-5.54,4.12,;-4.21,1.81,;-5.7,1.42,;-6.1,-.07,;-7.58,-.47,;-8.67,.62,;-10.16,.22,;-8.27,2.11,;-6.79,2.5,;1.12,3.35,;1.12,1.81,;2.46,1.04,;3.79,1.81,;3.79,3.35,;2.46,4.12,;5.13,1.04,;5.29,2.58,;6.53,1.67,;7.56,.53,;6.79,-.81,;5.29,-.49,;7.42,-2.21,;6.51,-3.46,;7.14,-4.87,;8.67,-5.03,;9.3,-6.43,;10.16,-5.43,;9.58,-3.78,;8.95,-2.37,)| Show InChI InChI=1S/C29H36F2N4O2/c30-29(31)11-9-23(10-12-29)35-16-21-14-28(21,17-35)20-3-1-18(2-4-20)19-13-25(26(32)33-15-19)27(37)34-22-5-7-24(36)8-6-22/h1-4,13,15,21-24,36H,5-12,14,16-17H2,(H2,32,33)(H,34,37)/t21-,22-,24-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM518855
(US11160797, Example 1 | US11160797, Example 26 | U...)Show SMILES CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)Cc2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Example 54:The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were ge... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M048M3 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase receptor R3 [166-493]
(Homo sapiens (Human)) | BDBM451788
(US10710980, Example 20 | US10947218, Example 20)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:6.6,26.29,wD:8.11,29.33,(10.71,-4.99,;9.18,-4.99,;8.41,-3.66,;6.86,-3.66,;6.24,-2.25,;7.01,-.92,;5.98,.23,;4.73,1.13,;4.57,-.4,;4.73,-1.93,;3.24,.37,;1.9,-.4,;.57,.37,;.57,1.91,;1.9,2.68,;3.24,1.91,;-.76,2.68,;-.76,4.22,;-2.1,4.99,;-3.43,4.22,;-4.76,4.99,;-3.43,2.68,;-2.1,1.91,;-4.76,1.91,;-6.1,2.68,;-4.76,.37,;-6.25,-.03,;-6.65,-1.51,;-8.14,-1.91,;-9.23,-.82,;-10.71,-1.22,;-8.83,.66,;-7.34,1.06,)| 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+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451795
(US10710980, Example 27 | US10947218, Example 27)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1CCC(F)(F)CC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.21,6.43,;-2.88,5.66,;-1.54,6.43,;-.21,5.66,;-.21,4.12,;-1.54,3.35,;-2.88,4.12,;-4.21,3.35,;-5.54,4.12,;-4.21,1.81,;-5.7,1.42,;-6.1,-.07,;-7.58,-.47,;-8.67,.62,;-10.16,.22,;-8.27,2.11,;-6.79,2.5,;1.12,3.35,;1.12,1.81,;2.46,1.04,;3.79,1.81,;3.79,3.35,;2.46,4.12,;5.13,1.04,;5.29,2.58,;6.53,1.67,;7.56,.53,;6.79,-.81,;5.29,-.49,;7.42,-2.21,;6.51,-3.46,;7.14,-4.87,;8.67,-5.03,;9.3,-6.43,;10.16,-5.43,;9.58,-3.78,;8.95,-2.37,)| Show InChI InChI=1S/C29H36F2N4O2/c30-29(31)11-9-23(10-12-29)35-16-21-14-28(21,17-35)20-3-1-18(2-4-20)19-13-25(26(32)33-15-19)27(37)34-22-5-7-24(36)8-6-22/h1-4,13,15,21-24,36H,5-12,14,16-17H2,(H2,32,33)(H,34,37)/t21-,22-,24-,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451795
(US10710980, Example 27 | US10947218, Example 27)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1CCC(F)(F)CC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.21,6.43,;-2.88,5.66,;-1.54,6.43,;-.21,5.66,;-.21,4.12,;-1.54,3.35,;-2.88,4.12,;-4.21,3.35,;-5.54,4.12,;-4.21,1.81,;-5.7,1.42,;-6.1,-.07,;-7.58,-.47,;-8.67,.62,;-10.16,.22,;-8.27,2.11,;-6.79,2.5,;1.12,3.35,;1.12,1.81,;2.46,1.04,;3.79,1.81,;3.79,3.35,;2.46,4.12,;5.13,1.04,;5.29,2.58,;6.53,1.67,;7.56,.53,;6.79,-.81,;5.29,-.49,;7.42,-2.21,;6.51,-3.46,;7.14,-4.87,;8.67,-5.03,;9.3,-6.43,;10.16,-5.43,;9.58,-3.78,;8.95,-2.37,)| Show InChI InChI=1S/C29H36F2N4O2/c30-29(31)11-9-23(10-12-29)35-16-21-14-28(21,17-35)20-3-1-18(2-4-20)19-13-25(26(32)33-15-19)27(37)34-22-5-7-24(36)8-6-22/h1-4,13,15,21-24,36H,5-12,14,16-17H2,(H2,32,33)(H,34,37)/t21-,22-,24-,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451771
(US10710980, Example 3 | US10947218, Example 3)Show SMILES C[C@@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:25.28,wD:28.32,1.0,(5.34,-3.47,;5.34,-1.93,;6.67,-1.16,;8.16,-1.55,;8.56,-.07,;10.05,-.46,;10.45,1.02,;8.96,1.42,;7.07,.33,;4.01,-1.16,;2.67,-1.93,;1.34,-1.16,;1.34,.39,;2.67,1.16,;4.01,.39,;.01,1.16,;.01,2.7,;-1.33,3.47,;-2.66,2.7,;-4,3.47,;-2.66,1.16,;-1.33,.39,;-4,.39,;-4,-1.16,;-5.33,1.16,;-6.66,.39,;-6.53,-1.15,;-7.79,-2.03,;-9.19,-1.38,;-10.45,-2.27,;-9.32,.15,;-8.06,1.04,)| Show InChI InChI=1S/C25H32N4O3/c1-16(29-12-25(13-29)14-32-15-25)17-2-4-18(5-3-17)19-10-22(23(26)27-11-19)24(31)28-20-6-8-21(30)9-7-20/h2-5,10-11,16,20-21,30H,6-9,12-15H2,1H3,(H2,26,27)(H,28,31)/t16-,20-,21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451771
(US10710980, Example 3 | US10947218, Example 3)Show SMILES C[C@@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:25.28,wD:28.32,1.0,(5.34,-3.47,;5.34,-1.93,;6.67,-1.16,;8.16,-1.55,;8.56,-.07,;10.05,-.46,;10.45,1.02,;8.96,1.42,;7.07,.33,;4.01,-1.16,;2.67,-1.93,;1.34,-1.16,;1.34,.39,;2.67,1.16,;4.01,.39,;.01,1.16,;.01,2.7,;-1.33,3.47,;-2.66,2.7,;-4,3.47,;-2.66,1.16,;-1.33,.39,;-4,.39,;-4,-1.16,;-5.33,1.16,;-6.66,.39,;-6.53,-1.15,;-7.79,-2.03,;-9.19,-1.38,;-10.45,-2.27,;-9.32,.15,;-8.06,1.04,)| Show InChI InChI=1S/C25H32N4O3/c1-16(29-12-25(13-29)14-32-15-25)17-2-4-18(5-3-17)19-10-22(23(26)27-11-19)24(31)28-20-6-8-21(30)9-7-20/h2-5,10-11,16,20-21,30H,6-9,12-15H2,1H3,(H2,26,27)(H,28,31)/t16-,20-,21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451781
(US10710980, Example 13 | US10947218, Example 13)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-5.42,6.3,;-4.09,5.53,;-2.75,6.3,;-1.42,5.53,;-1.42,3.99,;-2.75,3.22,;-4.09,3.99,;-5.42,3.22,;-6.76,3.99,;-5.42,1.68,;-6.76,.91,;-6.89,-.63,;-8.29,-1.28,;-9.55,-.39,;-10.75,-1.04,;-9.41,1.14,;-8.02,1.79,;-.09,3.22,;-.09,1.68,;1.25,.91,;2.58,1.68,;2.58,3.22,;1.25,3.99,;3.91,.91,;4.07,2.44,;5.32,1.53,;6.35,.39,;5.58,-.94,;6.21,-2.35,;7.74,-2.34,;8.44,-3.63,;7.67,-4.96,;8.44,-6.3,;9.98,-6.3,;10.75,-4.96,;9.98,-3.63,;4.07,-.62,)| Show InChI InChI=1S/C29H39N5O3/c30-27-26(28(36)32-24-5-7-25(35)8-6-24)15-21(17-31-27)20-1-3-22(4-2-20)29-16-23(29)18-34(19-29)10-9-33-11-13-37-14-12-33/h1-4,15,17,23-25,35H,5-14,16,18-19H2,(H2,30,31)(H,32,36)/t23-,24-,25-,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/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
(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
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451781
(US10710980, Example 13 | US10947218, Example 13)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-5.42,6.3,;-4.09,5.53,;-2.75,6.3,;-1.42,5.53,;-1.42,3.99,;-2.75,3.22,;-4.09,3.99,;-5.42,3.22,;-6.76,3.99,;-5.42,1.68,;-6.76,.91,;-6.89,-.63,;-8.29,-1.28,;-9.55,-.39,;-10.75,-1.04,;-9.41,1.14,;-8.02,1.79,;-.09,3.22,;-.09,1.68,;1.25,.91,;2.58,1.68,;2.58,3.22,;1.25,3.99,;3.91,.91,;4.07,2.44,;5.32,1.53,;6.35,.39,;5.58,-.94,;6.21,-2.35,;7.74,-2.34,;8.44,-3.63,;7.67,-4.96,;8.44,-6.3,;9.98,-6.3,;10.75,-4.96,;9.98,-3.63,;4.07,-.62,)| Show InChI InChI=1S/C29H39N5O3/c30-27-26(28(36)32-24-5-7-25(35)8-6-24)15-21(17-31-27)20-1-3-22(4-2-20)29-16-23(29)18-34(19-29)10-9-33-11-13-37-14-12-33/h1-4,15,17,23-25,35H,5-14,16,18-19H2,(H2,30,31)(H,32,36)/t23-,24-,25-,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/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
(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
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451779
(US10710980, Example 11 | US10947218, Example 11)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCF)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.27,4.96,;-2.93,4.19,;-1.6,4.96,;-.27,4.19,;-.27,2.65,;-1.6,1.88,;-2.93,2.65,;-4.27,1.88,;-5.6,2.65,;-4.27,.34,;-5.6,-.43,;-5.74,-1.96,;-7.13,-2.61,;-8.39,-1.73,;-9.6,-2.38,;-8.26,-.19,;-6.86,.46,;1.07,1.88,;1.07,.34,;2.4,-.43,;3.74,.34,;3.74,1.88,;2.4,2.65,;5.07,-.43,;5.23,1.11,;6.48,.2,;7.51,-.94,;6.74,-2.28,;7.36,-3.68,;8.89,-3.68,;9.6,-4.96,;5.23,-1.96,)| 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+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451779
(US10710980, Example 11 | US10947218, Example 11)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCF)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.27,4.96,;-2.93,4.19,;-1.6,4.96,;-.27,4.19,;-.27,2.65,;-1.6,1.88,;-2.93,2.65,;-4.27,1.88,;-5.6,2.65,;-4.27,.34,;-5.6,-.43,;-5.74,-1.96,;-7.13,-2.61,;-8.39,-1.73,;-9.6,-2.38,;-8.26,-.19,;-6.86,.46,;1.07,1.88,;1.07,.34,;2.4,-.43,;3.74,.34,;3.74,1.88,;2.4,2.65,;5.07,-.43,;5.23,1.11,;6.48,.2,;7.51,-.94,;6.74,-2.28,;7.36,-3.68,;8.89,-3.68,;9.6,-4.96,;5.23,-1.96,)| 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+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451806
(US10710980, Example 38 | US10947218, Example 38)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC1COC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.7,4.87,;-3.37,4.1,;-2.03,4.87,;-.7,4.1,;-.7,2.56,;-2.03,1.79,;-3.37,2.56,;-4.7,1.79,;-6.03,2.56,;-4.7,.25,;-6.19,-.15,;-6.58,-1.64,;-8.07,-2.04,;-9.16,-.95,;-10.65,-1.35,;-8.76,.54,;-7.28,.94,;.64,1.79,;.64,.25,;1.97,-.52,;3.3,.25,;3.3,1.79,;1.97,2.56,;4.64,-.52,;4.8,1.01,;6.04,.11,;7.07,-1.04,;6.3,-2.37,;6.93,-3.78,;8.47,-3.78,;9.56,-4.87,;10.65,-3.78,;9.56,-2.69,;4.8,-2.05,)| Show InChI InChI=1S/C27H34N4O3/c28-25-24(26(33)30-22-5-7-23(32)8-6-22)9-19(11-29-25)18-1-3-20(4-2-18)27-10-21(27)13-31(16-27)12-17-14-34-15-17/h1-4,9,11,17,21-23,32H,5-8,10,12-16H2,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451780
(US10710980, Example 12 | US10947218, Example 12)Show SMILES CC(C)N1CCC(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(6.61,-4.95,;7.51,-3.7,;9.04,-3.86,;6.89,-2.29,;7.66,-.96,;6.63,.18,;5.22,-.44,;5.38,-1.97,;3.88,.33,;2.55,-.44,;1.22,.33,;1.22,1.87,;2.55,2.64,;3.88,1.87,;-.12,2.64,;-.12,4.18,;-1.45,4.95,;-2.78,4.18,;-4.12,4.95,;-2.78,2.64,;-1.45,1.87,;-4.12,1.87,;-5.45,2.64,;-4.12,.33,;-5.45,-.44,;-5.32,-1.98,;-6.58,-2.86,;-7.97,-2.21,;-9.04,-3.06,;-8.11,-.67,;-6.85,.21,)| Show InChI InChI=1S/C25H34N4O2/c1-16(2)29-12-11-19(15-29)17-3-5-18(6-4-17)20-13-23(24(26)27-14-20)25(31)28-21-7-9-22(30)10-8-21/h3-6,13-14,16,19,21-22,30H,7-12,15H2,1-2H3,(H2,26,27)(H,28,31)/t19?,21-,22- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451806
(US10710980, Example 38 | US10947218, Example 38)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC1COC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.7,4.87,;-3.37,4.1,;-2.03,4.87,;-.7,4.1,;-.7,2.56,;-2.03,1.79,;-3.37,2.56,;-4.7,1.79,;-6.03,2.56,;-4.7,.25,;-6.19,-.15,;-6.58,-1.64,;-8.07,-2.04,;-9.16,-.95,;-10.65,-1.35,;-8.76,.54,;-7.28,.94,;.64,1.79,;.64,.25,;1.97,-.52,;3.3,.25,;3.3,1.79,;1.97,2.56,;4.64,-.52,;4.8,1.01,;6.04,.11,;7.07,-1.04,;6.3,-2.37,;6.93,-3.78,;8.47,-3.78,;9.56,-4.87,;10.65,-3.78,;9.56,-2.69,;4.8,-2.05,)| Show InChI InChI=1S/C27H34N4O3/c28-25-24(26(33)30-22-5-7-23(32)8-6-22)9-19(11-29-25)18-1-3-20(4-2-18)27-10-21(27)13-31(16-27)12-17-14-34-15-17/h1-4,9,11,17,21-23,32H,5-8,10,12-16H2,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451780
(US10710980, Example 12 | US10947218, Example 12)Show SMILES CC(C)N1CCC(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(6.61,-4.95,;7.51,-3.7,;9.04,-3.86,;6.89,-2.29,;7.66,-.96,;6.63,.18,;5.22,-.44,;5.38,-1.97,;3.88,.33,;2.55,-.44,;1.22,.33,;1.22,1.87,;2.55,2.64,;3.88,1.87,;-.12,2.64,;-.12,4.18,;-1.45,4.95,;-2.78,4.18,;-4.12,4.95,;-2.78,2.64,;-1.45,1.87,;-4.12,1.87,;-5.45,2.64,;-4.12,.33,;-5.45,-.44,;-5.32,-1.98,;-6.58,-2.86,;-7.97,-2.21,;-9.04,-3.06,;-8.11,-.67,;-6.85,.21,)| Show InChI InChI=1S/C25H34N4O2/c1-16(2)29-12-11-19(15-29)17-3-5-18(6-4-17)20-13-23(24(26)27-14-20)25(31)28-21-7-9-22(30)10-8-21/h3-6,13-14,16,19,21-22,30H,7-12,15H2,1-2H3,(H2,26,27)(H,28,31)/t19?,21-,22- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451813
(US10710980, Example 44 | US10947218, Example 44)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCS(=O)(=O)CC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-4.13,6.5,;-2.8,5.73,;-1.47,6.5,;-.13,5.73,;-.13,4.19,;-1.47,3.42,;-2.8,4.19,;-4.13,3.42,;-5.47,4.19,;-4.13,1.88,;-5.62,1.48,;-6.02,-.01,;-7.51,-.4,;-8.6,.69,;-10.08,.29,;-8.2,2.17,;-6.71,2.57,;1.2,3.42,;1.2,1.88,;2.54,1.11,;3.87,1.88,;3.87,3.42,;2.54,4.19,;5.2,1.11,;5.36,2.64,;6.61,1.74,;7.64,.59,;6.87,-.74,;5.36,-.42,;7.5,-2.15,;6.59,-3.39,;7.22,-4.8,;8.75,-4.96,;10.08,-5.73,;8.75,-6.5,;9.65,-3.72,;9.03,-2.31,)| Show InChI InChI=1S/C28H36N4O4S/c29-26-25(27(34)31-22-5-7-24(33)8-6-22)13-19(15-30-26)18-1-3-20(4-2-18)28-14-21(28)16-32(17-28)23-9-11-37(35,36)12-10-23/h1-4,13,15,21-24,33H,5-12,14,16-17H2,(H2,29,30)(H,31,34)/t21-,22-,24-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451831
(US10710980, Example 60 | US10947218, Example 60)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:26.29,8.11,wD:29.33,6.6,(10.86,-4.29,;9.32,-4.29,;7.78,-4.29,;6.24,-4.29,;5.47,-2.95,;6.24,-1.62,;5.21,-.26,;3.81,.44,;3.81,-1.1,;3.97,-2.63,;2.47,-.33,;1.14,-1.1,;-.19,-.33,;-.19,1.21,;1.14,1.98,;2.47,1.21,;-1.53,1.98,;-1.53,3.52,;-2.86,4.29,;-4.2,3.52,;-5.53,4.29,;-4.2,1.98,;-2.86,1.21,;-5.53,1.21,;-6.86,1.98,;-5.53,-.33,;-6.86,-1.1,;-6.86,-2.64,;-8.2,-3.41,;-9.53,-2.64,;-10.86,-3.41,;-9.53,-1.1,;-8.2,-.33,)| 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+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451831
(US10710980, Example 60 | US10947218, Example 60)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:26.29,8.11,wD:29.33,6.6,(10.86,-4.29,;9.32,-4.29,;7.78,-4.29,;6.24,-4.29,;5.47,-2.95,;6.24,-1.62,;5.21,-.26,;3.81,.44,;3.81,-1.1,;3.97,-2.63,;2.47,-.33,;1.14,-1.1,;-.19,-.33,;-.19,1.21,;1.14,1.98,;2.47,1.21,;-1.53,1.98,;-1.53,3.52,;-2.86,4.29,;-4.2,3.52,;-5.53,4.29,;-4.2,1.98,;-2.86,1.21,;-5.53,1.21,;-6.86,1.98,;-5.53,-.33,;-6.86,-1.1,;-6.86,-2.64,;-8.2,-3.41,;-9.53,-2.64,;-10.86,-3.41,;-9.53,-1.1,;-8.2,-.33,)| 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+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451813
(US10710980, Example 44 | US10947218, Example 44)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCS(=O)(=O)CC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-4.13,6.5,;-2.8,5.73,;-1.47,6.5,;-.13,5.73,;-.13,4.19,;-1.47,3.42,;-2.8,4.19,;-4.13,3.42,;-5.47,4.19,;-4.13,1.88,;-5.62,1.48,;-6.02,-.01,;-7.51,-.4,;-8.6,.69,;-10.08,.29,;-8.2,2.17,;-6.71,2.57,;1.2,3.42,;1.2,1.88,;2.54,1.11,;3.87,1.88,;3.87,3.42,;2.54,4.19,;5.2,1.11,;5.36,2.64,;6.61,1.74,;7.64,.59,;6.87,-.74,;5.36,-.42,;7.5,-2.15,;6.59,-3.39,;7.22,-4.8,;8.75,-4.96,;10.08,-5.73,;8.75,-6.5,;9.65,-3.72,;9.03,-2.31,)| Show InChI InChI=1S/C28H36N4O4S/c29-26-25(27(34)31-22-5-7-24(33)8-6-22)13-19(15-30-26)18-1-3-20(4-2-18)28-14-21(28)16-32(17-28)23-9-11-37(35,36)12-10-23/h1-4,13,15,21-24,33H,5-12,14,16-17H2,(H2,29,30)(H,31,34)/t21-,22-,24-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451772
(US10710980, Example 4 | US10947218, Example 4)Show SMILES C[C@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:1.0,25.28,wD:28.32,(5.54,-3.46,;5.54,-1.92,;6.88,-1.16,;8.36,-1.55,;8.76,-.07,;10.25,-.46,;10.65,1.02,;9.16,1.42,;7.27,.33,;4.21,-1.16,;2.87,-1.92,;1.54,-1.16,;1.54,.38,;2.87,1.16,;4.21,.38,;.21,1.16,;.21,2.7,;-1.13,3.46,;-2.46,2.7,;-3.79,3.46,;-2.46,1.16,;-1.13,.38,;-3.79,.38,;-3.79,-1.16,;-5.13,1.16,;-6.46,.38,;-6.6,-1.15,;-7.99,-1.8,;-9.25,-.92,;-10.65,-1.57,;-9.12,.62,;-7.72,1.27,)| Show InChI InChI=1S/C25H32N4O3/c1-16(29-12-25(13-29)14-32-15-25)17-2-4-18(5-3-17)19-10-22(23(26)27-11-19)24(31)28-20-6-8-21(30)9-7-20/h2-5,10-11,16,20-21,30H,6-9,12-15H2,1H3,(H2,26,27)(H,28,31)/t16-,20-,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451772
(US10710980, Example 4 | US10947218, Example 4)Show SMILES C[C@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:1.0,25.28,wD:28.32,(5.54,-3.46,;5.54,-1.92,;6.88,-1.16,;8.36,-1.55,;8.76,-.07,;10.25,-.46,;10.65,1.02,;9.16,1.42,;7.27,.33,;4.21,-1.16,;2.87,-1.92,;1.54,-1.16,;1.54,.38,;2.87,1.16,;4.21,.38,;.21,1.16,;.21,2.7,;-1.13,3.46,;-2.46,2.7,;-3.79,3.46,;-2.46,1.16,;-1.13,.38,;-3.79,.38,;-3.79,-1.16,;-5.13,1.16,;-6.46,.38,;-6.6,-1.15,;-7.99,-1.8,;-9.25,-.92,;-10.65,-1.57,;-9.12,.62,;-7.72,1.27,)| Show InChI InChI=1S/C25H32N4O3/c1-16(29-12-25(13-29)14-32-15-25)17-2-4-18(5-3-17)19-10-22(23(26)27-11-19)24(31)28-20-6-8-21(30)9-7-20/h2-5,10-11,16,20-21,30H,6-9,12-15H2,1H3,(H2,26,27)(H,28,31)/t16-,20-,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451838
(US10710980, Example 67 | US10947218, Example 67)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC(F)(F)F)C2 |r,wU:10.10,25.27,wD:13.14,23.25,(-4.73,4.95,;-3.4,4.18,;-2.07,4.95,;-.73,4.18,;-.73,2.64,;-2.07,1.87,;-3.4,2.64,;-4.73,1.87,;-6.07,2.64,;-4.73,.33,;-6.07,-.44,;-6.07,-1.98,;-7.4,-2.75,;-8.73,-1.98,;-10.07,-2.75,;-8.73,-.44,;-7.4,.33,;.6,1.87,;.6,.33,;1.94,-.44,;3.27,.33,;3.27,1.87,;1.94,2.64,;4.6,-.44,;4.6,1.1,;6.01,.4,;7.04,-.95,;6.27,-2.29,;7.04,-3.62,;8.58,-3.62,;9.35,-4.95,;10.07,-3.22,;9.35,-2.29,;4.76,-1.97,)| Show InChI InChI=1S/C25H29F3N4O2/c26-25(27,28)14-32-12-18-10-24(18,13-32)17-3-1-15(2-4-17)16-9-21(22(29)30-11-16)23(34)31-19-5-7-20(33)8-6-19/h1-4,9,11,18-20,33H,5-8,10,12-14H2,(H2,29,30)(H,31,34)/t18-,19-,20-,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451838
(US10710980, Example 67 | US10947218, Example 67)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC(F)(F)F)C2 |r,wU:10.10,25.27,wD:13.14,23.25,(-4.73,4.95,;-3.4,4.18,;-2.07,4.95,;-.73,4.18,;-.73,2.64,;-2.07,1.87,;-3.4,2.64,;-4.73,1.87,;-6.07,2.64,;-4.73,.33,;-6.07,-.44,;-6.07,-1.98,;-7.4,-2.75,;-8.73,-1.98,;-10.07,-2.75,;-8.73,-.44,;-7.4,.33,;.6,1.87,;.6,.33,;1.94,-.44,;3.27,.33,;3.27,1.87,;1.94,2.64,;4.6,-.44,;4.6,1.1,;6.01,.4,;7.04,-.95,;6.27,-2.29,;7.04,-3.62,;8.58,-3.62,;9.35,-4.95,;10.07,-3.22,;9.35,-2.29,;4.76,-1.97,)| Show InChI InChI=1S/C25H29F3N4O2/c26-25(27,28)14-32-12-18-10-24(18,13-32)17-3-1-15(2-4-17)16-9-21(22(29)30-11-16)23(34)31-19-5-7-20(33)8-6-19/h1-4,9,11,18-20,33H,5-8,10,12-14H2,(H2,29,30)(H,31,34)/t18-,19-,20-,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM451837
(US10710980, Example 66 | US10947218, Example 66)Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C(CF)CF |r,wU:10.10,25.27,wD:13.14,23.25,(-4.37,5.62,;-3.04,4.85,;-1.71,5.62,;-.37,4.85,;-.37,3.31,;-1.71,2.54,;-3.04,3.31,;-4.37,2.54,;-5.71,3.31,;-4.37,1,;-5.71,.23,;-5.71,-1.31,;-7.04,-2.08,;-8.38,-1.31,;-9.71,-2.08,;-8.38,.23,;-7.04,1,;.96,2.54,;.96,1,;2.29,.23,;3.63,1,;3.63,2.54,;2.29,3.31,;4.96,.23,;4.96,1.77,;6.37,1.07,;7.4,-.29,;6.63,-1.62,;5.12,-1.3,;7.4,-2.95,;8.94,-2.95,;9.71,-4.29,;6.63,-4.29,;7.4,-5.62,)| Show InChI InChI=1S/C26H32F2N4O2/c27-11-21(12-28)32-14-19-10-26(19,15-32)18-3-1-16(2-4-18)17-9-23(24(29)30-13-17)25(34)31-20-5-7-22(33)8-6-20/h1-4,9,13,19-22,33H,5-8,10-12,14-15H2,(H2,29,30)(H,31,34)/t19-,20-,22-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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