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BDBM287520 8-(2-((1-acryloylazetidin-3-yl)(methyl)amino)ethyl)-2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7(8H)-one::US10294223, Cpd No. 114::US9567334, Example 114::US9815834, Compound 114

SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N)nc2n(CCN(C)C2CN(C2)C(=O)C=C)c1=O

InChI Key: InChIKey=OCIIUHMXXRNNNL-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 = 287520   
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))
BDBM287520
PNG
(8-(2-((1-acryloylazetidin-3-yl)(methyl)amino)ethyl...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N)nc2n(CCN(C)C2CN(C2)C(=O)C=C)c1=O |(3.72,7.86,;2.39,7.09,;2.39,5.55,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;1.06,3.24,;1.06,4.78,;-.28,5.55,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-4.28,3.24,;-5.61,2.47,;-5.61,.93,;-6.94,.16,;-4.28,.16,;-2.94,.93,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;-.28,-3.69,;-1.61,-4.46,;1.06,-4.46,;1.46,-5.95,;2.94,-5.55,;2.55,-4.06,;4.28,-6.32,;4.28,-7.86,;5.61,-5.55,;6.94,-6.32,;-.28,.93,;1.06,.16,)|
Show InChI InChI=1S/C24H26Cl2N6O4/c1-5-18(33)31-11-14(12-31)30(2)6-7-32-22-13(10-28-24(27)29-22)8-15(23(32)34)19-20(25)16(35-3)9-17(36-4)21(19)26/h5,8-10,14H,1,6-7,11-12H2,2-4H3,(H2,27,28,29)
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n/an/a 1.10n/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))
BDBM287520
PNG
(8-(2-((1-acryloylazetidin-3-yl)(methyl)amino)ethyl...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N)nc2n(CCN(C)C2CN(C2)C(=O)C=C)c1=O |(3.72,7.86,;2.39,7.09,;2.39,5.55,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;1.06,3.24,;1.06,4.78,;-.28,5.55,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-4.28,3.24,;-5.61,2.47,;-5.61,.93,;-6.94,.16,;-4.28,.16,;-2.94,.93,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;-.28,-3.69,;-1.61,-4.46,;1.06,-4.46,;1.46,-5.95,;2.94,-5.55,;2.55,-4.06,;4.28,-6.32,;4.28,-7.86,;5.61,-5.55,;6.94,-6.32,;-.28,.93,;1.06,.16,)|
Show InChI InChI=1S/C24H26Cl2N6O4/c1-5-18(33)31-11-14(12-31)30(2)6-7-32-22-13(10-28-24(27)29-22)8-15(23(32)34)19-20(25)16(35-3)9-17(36-4)21(19)26/h5,8-10,14H,1,6-7,11-12H2,2-4H3,(H2,27,28,29)
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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 114
PNG
(8-(2-((1-acryloylazetidin-3-yl)(methyl)amino)ethyl...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N)nc2n(CCN(C)C2CN(C2)C(=O)C=C)c1=O |(3.72,7.86,;2.39,7.09,;2.39,5.55,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;1.06,3.24,;1.06,4.78,;-.28,5.55,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-4.28,3.24,;-5.61,2.47,;-5.61,.93,;-6.94,.16,;-4.28,.16,;-2.94,.93,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;-.28,-3.69,;-1.61,-4.46,;1.06,-4.46,;1.46,-5.95,;2.94,-5.55,;2.55,-4.06,;4.28,-6.32,;4.28,-7.86,;5.61,-5.55,;6.94,-6.32,;-.28,.93,;1.06,.16,)|
Show InChI InChI=1S/C24H26Cl2N6O4/c1-5-18(33)31-11-14(12-31)30(2)6-7-32-22-13(10-28-24(27)29-22)8-15(23(32)34)19-20(25)16(35-3)9-17(36-4)21(19)26/h5,8-10,14H,1,6-7,11-12H2,2-4H3,(H2,27,28,29)
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TBA



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


(Homo sapiens (Human))
BDBM287520
PNG
(8-(2-((1-acryloylazetidin-3-yl)(methyl)amino)ethyl...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N)nc2n(CCN(C)C2CN(C2)C(=O)C=C)c1=O |(3.72,7.86,;2.39,7.09,;2.39,5.55,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;1.06,3.24,;1.06,4.78,;-.28,5.55,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-4.28,3.24,;-5.61,2.47,;-5.61,.93,;-6.94,.16,;-4.28,.16,;-2.94,.93,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;-.28,-3.69,;-1.61,-4.46,;1.06,-4.46,;1.46,-5.95,;2.94,-5.55,;2.55,-4.06,;4.28,-6.32,;4.28,-7.86,;5.61,-5.55,;6.94,-6.32,;-.28,.93,;1.06,.16,)|
Show InChI InChI=1S/C24H26Cl2N6O4/c1-5-18(33)31-11-14(12-31)30(2)6-7-32-22-13(10-28-24(27)29-22)8-15(23(32)34)19-20(25)16(35-3)9-17(36-4)21(19)26/h5,8-10,14H,1,6-7,11-12H2,2-4H3,(H2,27,28,29)
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US Patent
n/an/a 0.700n/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))
BDBM287520
PNG
(8-(2-((1-acryloylazetidin-3-yl)(methyl)amino)ethyl...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N)nc2n(CCN(C)C2CN(C2)C(=O)C=C)c1=O |(3.72,7.86,;2.39,7.09,;2.39,5.55,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;1.06,3.24,;1.06,4.78,;-.28,5.55,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-4.28,3.24,;-5.61,2.47,;-5.61,.93,;-6.94,.16,;-4.28,.16,;-2.94,.93,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;-.28,-3.69,;-1.61,-4.46,;1.06,-4.46,;1.46,-5.95,;2.94,-5.55,;2.55,-4.06,;4.28,-6.32,;4.28,-7.86,;5.61,-5.55,;6.94,-6.32,;-.28,.93,;1.06,.16,)|
Show InChI InChI=1S/C24H26Cl2N6O4/c1-5-18(33)31-11-14(12-31)30(2)6-7-32-22-13(10-28-24(27)29-22)8-15(23(32)34)19-20(25)16(35-3)9-17(36-4)21(19)26/h5,8-10,14H,1,6-7,11-12H2,2-4H3,(H2,27,28,29)
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n/an/a 0.700n/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