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SMILES: C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F

InChI Key: InChIKey=OUBQQWXHNONJNU-NSHDSACASA-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 18 hits for monomerid = 280336   
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))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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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
Bone morphogenetic protein 10


(Homo sapiens (Human))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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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))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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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))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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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
Bone morphogenetic protein receptor type-1B


(Mus musculus (Mouse))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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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))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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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
Activin receptor type-1


(Homo sapiens (Human))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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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-1A


(Homo sapiens (Human))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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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 type-1B


(Homo sapiens (Human))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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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))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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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
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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TBA



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


(Homo sapiens (Human))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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TBA



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


(Homo sapiens (Human))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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TBA



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


(Homo sapiens (Human))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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Citation and Details
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM280336
PNG
(4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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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