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BDBM280361 4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-pyridyl]amino]-N-cyclopropyl-pyridine-3-carboxamide::US10030004, Compound 27::US10501436, Compound 27

SMILES: CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F

InChI Key: InChIKey=NRNOAZUAWDMPFI-UHFFFAOYSA-N

Data: 12 IC50

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 18 hits for monomerid = 280361   
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
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Bone morphogenetic protein 10


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Activin receptor-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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n/an/a 28.1n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Mus musculus (Mouse))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10501436 (2019)


BindingDB Entry DOI: 10.7270/Q20867PH
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10501436 (2019)


BindingDB Entry DOI: 10.7270/Q20867PH
More data for this
Ligand-Target Pair
Activin receptor-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10501436 (2019)


BindingDB Entry DOI: 10.7270/Q20867PH
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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n/an/a 40.2n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10501436 (2019)


BindingDB Entry DOI: 10.7270/Q20867PH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10501436 (2019)


BindingDB Entry DOI: 10.7270/Q20867PH
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10501436 (2019)


BindingDB Entry DOI: 10.7270/Q20867PH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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n/an/a 1.31E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Activin receptor-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM280361
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair