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BDBM287519 8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-((3-(4-ethylpiperazin-1-yl)propyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one::US10294223, Cpd No. 91::US9567334, Example 91::US9815834, Compound 91

SMILES: CCN1CCN(CCCNc2ncc3cc(-c4c(Cl)c(OC)cc(OC)c4Cl)c(=O)n(CCOC4CN(C4)C(=O)C=C)c3n2)CC1

InChI Key: InChIKey=BYCZXBZXUBUKGX-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 287519   
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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287519
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES CCN1CCN(CCCNc2ncc3cc(-c4c(Cl)c(OC)cc(OC)c4Cl)c(=O)n(CCOC4CN(C4)C(=O)C=C)c3n2)CC1 |(-10.28,-8.09,;-10.28,-6.55,;-8.95,-5.78,;-8.95,-4.24,;-7.61,-3.47,;-6.28,-4.24,;-4.94,-3.47,;-4.94,-1.93,;-3.61,-1.16,;-3.61,.38,;-2.28,1.15,;-2.28,2.69,;-.94,3.46,;.39,2.69,;1.72,3.46,;3.06,2.69,;4.39,3.46,;4.39,5,;3.06,5.77,;5.73,5.78,;5.73,7.32,;7.06,8.09,;7.06,5,;7.06,3.46,;8.39,2.69,;9.73,3.46,;5.73,2.69,;5.73,1.15,;3.06,1.15,;4.39,.38,;1.72,.38,;1.72,-1.16,;3.06,-1.93,;3.06,-3.47,;4.39,-4.24,;4.79,-5.72,;6.28,-5.32,;5.88,-3.84,;7.61,-6.09,;7.61,-7.63,;8.95,-5.32,;10.28,-6.09,;.39,1.15,;-.94,.38,;-6.28,-5.78,;-7.61,-6.55,)|
Show InChI InChI=1S/C32H41Cl2N7O5/c1-5-26(42)40-19-22(20-40)46-15-14-41-30-21(16-23(31(41)43)27-28(33)24(44-3)17-25(45-4)29(27)34)18-36-32(37-30)35-8-7-9-39-12-10-38(6-2)11-13-39/h5,16-18,22H,1,6-15,19-20H2,2-4H3,(H,35,36,37)
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n/an/a 1.20n/an/an/an/an/a25



Principia Biopharma, Inc.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of FGFR family (FGFR1, FGFR2, FGFR3, FGFR4) kin...


US Patent US9567334 (2017)


BindingDB Entry DOI: 10.7270/Q2XK8HKQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287519
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES CCN1CCN(CCCNc2ncc3cc(-c4c(Cl)c(OC)cc(OC)c4Cl)c(=O)n(CCOC4CN(C4)C(=O)C=C)c3n2)CC1 |(-10.28,-8.09,;-10.28,-6.55,;-8.95,-5.78,;-8.95,-4.24,;-7.61,-3.47,;-6.28,-4.24,;-4.94,-3.47,;-4.94,-1.93,;-3.61,-1.16,;-3.61,.38,;-2.28,1.15,;-2.28,2.69,;-.94,3.46,;.39,2.69,;1.72,3.46,;3.06,2.69,;4.39,3.46,;4.39,5,;3.06,5.77,;5.73,5.78,;5.73,7.32,;7.06,8.09,;7.06,5,;7.06,3.46,;8.39,2.69,;9.73,3.46,;5.73,2.69,;5.73,1.15,;3.06,1.15,;4.39,.38,;1.72,.38,;1.72,-1.16,;3.06,-1.93,;3.06,-3.47,;4.39,-4.24,;4.79,-5.72,;6.28,-5.32,;5.88,-3.84,;7.61,-6.09,;7.61,-7.63,;8.95,-5.32,;10.28,-6.09,;.39,1.15,;-.94,.38,;-6.28,-5.78,;-7.61,-6.55,)|
Show InChI InChI=1S/C32H41Cl2N7O5/c1-5-26(42)40-19-22(20-40)46-15-14-41-30-21(16-23(31(41)43)27-28(33)24(44-3)17-25(45-4)29(27)34)18-36-32(37-30)35-8-7-9-39-12-10-38(6-2)11-13-39/h5,16-18,22H,1,6-15,19-20H2,2-4H3,(H,35,36,37)
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Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of FGFR family (FGFR1, FGFR2, FGFR3, FGFR4) kin...


Bioorg Med Chem Lett 19: 773-7 (2009)


BindingDB Entry DOI: 10.7270/Q2GX4DVZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
US11078199, Cpd 91
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES CCN1CCN(CCCNc2ncc3cc(-c4c(Cl)c(OC)cc(OC)c4Cl)c(=O)n(CCOC4CN(C4)C(=O)C=C)c3n2)CC1 |(-10.28,-8.09,;-10.28,-6.55,;-8.95,-5.78,;-8.95,-4.24,;-7.61,-3.47,;-6.28,-4.24,;-4.94,-3.47,;-4.94,-1.93,;-3.61,-1.16,;-3.61,.38,;-2.28,1.15,;-2.28,2.69,;-.94,3.46,;.39,2.69,;1.72,3.46,;3.06,2.69,;4.39,3.46,;4.39,5,;3.06,5.77,;5.73,5.78,;5.73,7.32,;7.06,8.09,;7.06,5,;7.06,3.46,;8.39,2.69,;9.73,3.46,;5.73,2.69,;5.73,1.15,;3.06,1.15,;4.39,.38,;1.72,.38,;1.72,-1.16,;3.06,-1.93,;3.06,-3.47,;4.39,-4.24,;4.79,-5.72,;6.28,-5.32,;5.88,-3.84,;7.61,-6.09,;7.61,-7.63,;8.95,-5.32,;10.28,-6.09,;.39,1.15,;-.94,.38,;-6.28,-5.78,;-7.61,-6.55,)|
Show InChI InChI=1S/C32H41Cl2N7O5/c1-5-26(42)40-19-22(20-40)46-15-14-41-30-21(16-23(31(41)43)27-28(33)24(44-3)17-25(45-4)29(27)34)18-36-32(37-30)35-8-7-9-39-12-10-38(6-2)11-13-39/h5,16-18,22H,1,6-15,19-20H2,2-4H3,(H,35,36,37)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287519
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES CCN1CCN(CCCNc2ncc3cc(-c4c(Cl)c(OC)cc(OC)c4Cl)c(=O)n(CCOC4CN(C4)C(=O)C=C)c3n2)CC1 |(-10.28,-8.09,;-10.28,-6.55,;-8.95,-5.78,;-8.95,-4.24,;-7.61,-3.47,;-6.28,-4.24,;-4.94,-3.47,;-4.94,-1.93,;-3.61,-1.16,;-3.61,.38,;-2.28,1.15,;-2.28,2.69,;-.94,3.46,;.39,2.69,;1.72,3.46,;3.06,2.69,;4.39,3.46,;4.39,5,;3.06,5.77,;5.73,5.78,;5.73,7.32,;7.06,8.09,;7.06,5,;7.06,3.46,;8.39,2.69,;9.73,3.46,;5.73,2.69,;5.73,1.15,;3.06,1.15,;4.39,.38,;1.72,.38,;1.72,-1.16,;3.06,-1.93,;3.06,-3.47,;4.39,-4.24,;4.79,-5.72,;6.28,-5.32,;5.88,-3.84,;7.61,-6.09,;7.61,-7.63,;8.95,-5.32,;10.28,-6.09,;.39,1.15,;-.94,.38,;-6.28,-5.78,;-7.61,-6.55,)|
Show InChI InChI=1S/C32H41Cl2N7O5/c1-5-26(42)40-19-22(20-40)46-15-14-41-30-21(16-23(31(41)43)27-28(33)24(44-3)17-25(45-4)29(27)34)18-36-32(37-30)35-8-7-9-39-12-10-38(6-2)11-13-39/h5,16-18,22H,1,6-15,19-20H2,2-4H3,(H,35,36,37)
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n/an/a 3.60n/an/an/an/an/an/a



PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of FGFR family (FGFR1, FGFR2, FGFR3, FGFR4) kin...


US Patent US9815834 (2017)


BindingDB Entry DOI: 10.7270/Q2B85B83
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM287519
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES CCN1CCN(CCCNc2ncc3cc(-c4c(Cl)c(OC)cc(OC)c4Cl)c(=O)n(CCOC4CN(C4)C(=O)C=C)c3n2)CC1 |(-10.28,-8.09,;-10.28,-6.55,;-8.95,-5.78,;-8.95,-4.24,;-7.61,-3.47,;-6.28,-4.24,;-4.94,-3.47,;-4.94,-1.93,;-3.61,-1.16,;-3.61,.38,;-2.28,1.15,;-2.28,2.69,;-.94,3.46,;.39,2.69,;1.72,3.46,;3.06,2.69,;4.39,3.46,;4.39,5,;3.06,5.77,;5.73,5.78,;5.73,7.32,;7.06,8.09,;7.06,5,;7.06,3.46,;8.39,2.69,;9.73,3.46,;5.73,2.69,;5.73,1.15,;3.06,1.15,;4.39,.38,;1.72,.38,;1.72,-1.16,;3.06,-1.93,;3.06,-3.47,;4.39,-4.24,;4.79,-5.72,;6.28,-5.32,;5.88,-3.84,;7.61,-6.09,;7.61,-7.63,;8.95,-5.32,;10.28,-6.09,;.39,1.15,;-.94,.38,;-6.28,-5.78,;-7.61,-6.55,)|
Show InChI InChI=1S/C32H41Cl2N7O5/c1-5-26(42)40-19-22(20-40)46-15-14-41-30-21(16-23(31(41)43)27-28(33)24(44-3)17-25(45-4)29(27)34)18-36-32(37-30)35-8-7-9-39-12-10-38(6-2)11-13-39/h5,16-18,22H,1,6-15,19-20H2,2-4H3,(H,35,36,37)
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n/an/a 3.60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The cell-based effects of FGFR inhibitors were determined by measuring inhibition of FGFR-dependent cell line growth. The cell lines SNU-16 was used ...


Bioorg Med Chem Lett 19: 773-7 (2009)


BindingDB Entry DOI: 10.7270/Q2GX4DVZ
More data for this
Ligand-Target Pair