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BDBM287538 8-(2-((1-acryloylazetidin-3-yl)(2-methoxyethyl)amino)ethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one::US10294223, Cpd No. 120::US9567334, Example 120::US9815834, Compound 120

SMILES: CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(CCOC)C3CN(C3)C(=O)C=C)c2n1

InChI Key: InChIKey=LTWBXHYYWOPFGA-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 = 287538   
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))
BDBM287538
PNG
(8-(2-((1-acryloylazetidin-3-yl)(2-methoxyethyl)ami...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(CCOC)C3CN(C3)C(=O)C=C)c2n1 |(-6.94,-1.38,;-6.94,.16,;-5.61,.93,;-5.61,2.47,;-4.28,3.24,;-2.94,2.47,;-1.61,3.24,;-.28,2.47,;1.06,3.24,;1.06,4.78,;-.28,5.55,;2.39,5.55,;2.39,7.09,;3.72,7.86,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;-.28,.93,;1.06,.16,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;-.28,-3.69,;-1.61,-4.46,;-2.94,-3.69,;-4.28,-4.46,;-5.61,-3.69,;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,;-2.94,.93,;-4.28,.16,)|
Show InChI InChI=1S/C27H32Cl2N6O5/c1-6-21(36)34-14-17(15-34)33(9-10-38-3)7-8-35-25-16(13-31-27(30-2)32-25)11-18(26(35)37)22-23(28)19(39-4)12-20(40-5)24(22)29/h6,11-13,17H,1,7-10,14-15H2,2-5H3,(H,30,31,32)
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US Patent
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))
BDBM287538
PNG
(8-(2-((1-acryloylazetidin-3-yl)(2-methoxyethyl)ami...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(CCOC)C3CN(C3)C(=O)C=C)c2n1 |(-6.94,-1.38,;-6.94,.16,;-5.61,.93,;-5.61,2.47,;-4.28,3.24,;-2.94,2.47,;-1.61,3.24,;-.28,2.47,;1.06,3.24,;1.06,4.78,;-.28,5.55,;2.39,5.55,;2.39,7.09,;3.72,7.86,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;-.28,.93,;1.06,.16,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;-.28,-3.69,;-1.61,-4.46,;-2.94,-3.69,;-4.28,-4.46,;-5.61,-3.69,;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,;-2.94,.93,;-4.28,.16,)|
Show InChI InChI=1S/C27H32Cl2N6O5/c1-6-21(36)34-14-17(15-34)33(9-10-38-3)7-8-35-25-16(13-31-27(30-2)32-25)11-18(26(35)37)22-23(28)19(39-4)12-20(40-5)24(22)29/h6,11-13,17H,1,7-10,14-15H2,2-5H3,(H,30,31,32)
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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))
BDBM287538
PNG
(8-(2-((1-acryloylazetidin-3-yl)(2-methoxyethyl)ami...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(CCOC)C3CN(C3)C(=O)C=C)c2n1 |(-6.94,-1.38,;-6.94,.16,;-5.61,.93,;-5.61,2.47,;-4.28,3.24,;-2.94,2.47,;-1.61,3.24,;-.28,2.47,;1.06,3.24,;1.06,4.78,;-.28,5.55,;2.39,5.55,;2.39,7.09,;3.72,7.86,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;-.28,.93,;1.06,.16,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;-.28,-3.69,;-1.61,-4.46,;-2.94,-3.69,;-4.28,-4.46,;-5.61,-3.69,;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,;-2.94,.93,;-4.28,.16,)|
Show InChI InChI=1S/C27H32Cl2N6O5/c1-6-21(36)34-14-17(15-34)33(9-10-38-3)7-8-35-25-16(13-31-27(30-2)32-25)11-18(26(35)37)22-23(28)19(39-4)12-20(40-5)24(22)29/h6,11-13,17H,1,7-10,14-15H2,2-5H3,(H,30,31,32)
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TBA



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


(Homo sapiens (Human))
BDBM287538
PNG
(8-(2-((1-acryloylazetidin-3-yl)(2-methoxyethyl)ami...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(CCOC)C3CN(C3)C(=O)C=C)c2n1 |(-6.94,-1.38,;-6.94,.16,;-5.61,.93,;-5.61,2.47,;-4.28,3.24,;-2.94,2.47,;-1.61,3.24,;-.28,2.47,;1.06,3.24,;1.06,4.78,;-.28,5.55,;2.39,5.55,;2.39,7.09,;3.72,7.86,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;-.28,.93,;1.06,.16,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;-.28,-3.69,;-1.61,-4.46,;-2.94,-3.69,;-4.28,-4.46,;-5.61,-3.69,;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,;-2.94,.93,;-4.28,.16,)|
Show InChI InChI=1S/C27H32Cl2N6O5/c1-6-21(36)34-14-17(15-34)33(9-10-38-3)7-8-35-25-16(13-31-27(30-2)32-25)11-18(26(35)37)22-23(28)19(39-4)12-20(40-5)24(22)29/h6,11-13,17H,1,7-10,14-15H2,2-5H3,(H,30,31,32)
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n/an/a 1.30n/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))
BDBM287538
PNG
(8-(2-((1-acryloylazetidin-3-yl)(2-methoxyethyl)ami...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(CCOC)C3CN(C3)C(=O)C=C)c2n1 |(-6.94,-1.38,;-6.94,.16,;-5.61,.93,;-5.61,2.47,;-4.28,3.24,;-2.94,2.47,;-1.61,3.24,;-.28,2.47,;1.06,3.24,;1.06,4.78,;-.28,5.55,;2.39,5.55,;2.39,7.09,;3.72,7.86,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;-.28,.93,;1.06,.16,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;-.28,-3.69,;-1.61,-4.46,;-2.94,-3.69,;-4.28,-4.46,;-5.61,-3.69,;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,;-2.94,.93,;-4.28,.16,)|
Show InChI InChI=1S/C27H32Cl2N6O5/c1-6-21(36)34-14-17(15-34)33(9-10-38-3)7-8-35-25-16(13-31-27(30-2)32-25)11-18(26(35)37)22-23(28)19(39-4)12-20(40-5)24(22)29/h6,11-13,17H,1,7-10,14-15H2,2-5H3,(H,30,31,32)
PDB
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n/an/a 1.30n/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