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BDBM280346 4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyridyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide::US10030004, Compound 13a::US10501436, Compound 13a

SMILES: COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F

InChI Key: InChIKey=JCBZLQOFQWJOBF-LBPRGKRZSA-N

Data: 10 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 15 hits for monomerid = 280346   
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))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/m0/s1
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n/an/a 9.12E+3n/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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/m0/s1
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n/an/a 71.5n/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))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/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
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/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))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/m0/s1
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n/an/a 71.5n/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))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/m0/s1
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n/an/a 9.12E+3n/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))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/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-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/m0/s1
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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))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/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))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/m0/s1
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n/an/a 71.5n/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))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/m0/s1
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n/an/a 9.12E+3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/m0/s1
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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))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/m0/s1
PDB

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UniChem
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))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/m0/s1
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TBA



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


(Homo sapiens (Human))
BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/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