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BDBM287517 (S)-8-((1-(1-acryloylazetidin-3-yl)pyrrolidin-2-yl)methyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one::US10294223, Cpd No. 113::US9567334, Example 113::US9815834, Compound 113

SMILES: CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C[C@@H]3CCCN3C3CN(C3)C(=O)C=C)c2n1

InChI Key: InChIKey=OWLHHVGNWXMBFF-INIZCTEOSA-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 4 hits for monomerid = 287517   
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))
BDBM287517
PNG
((S)-8-((1-(1-acryloylazetidin-3-yl)pyrrolidin-2-yl...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C[C@@H]3CCCN3C3CN(C3)C(=O)C=C)c2n1 |r,wU:24.24,(-6.67,-.86,;-6.67,.68,;-5.33,1.45,;-5.33,2.99,;-4,3.76,;-2.67,2.99,;-1.33,3.76,;,2.99,;1.33,3.76,;1.33,5.3,;,6.07,;2.67,6.07,;2.67,7.61,;4,8.38,;4,5.3,;4,3.76,;5.33,2.99,;6.67,3.76,;2.67,2.99,;2.67,1.45,;,1.45,;1.33,.68,;-1.33,.68,;-1.33,-.86,;-2.67,-1.63,;-4.13,-1.16,;-5.04,-2.4,;-4.13,-3.65,;-2.67,-3.17,;-1.58,-4.26,;-1.58,-5.8,;-.04,-5.8,;-.04,-4.26,;1.05,-6.89,;.65,-8.38,;2.54,-6.49,;3.63,-7.58,;-2.67,1.45,;-4,.68,)|
Show InChI InChI=1S/C27H30Cl2N6O4/c1-5-21(36)33-12-17(13-33)34-8-6-7-16(34)14-35-25-15(11-31-27(30-2)32-25)9-18(26(35)37)22-23(28)19(38-3)10-20(39-4)24(22)29/h5,9-11,16-17H,1,6-8,12-14H2,2-4H3,(H,30,31,32)/t16-/m0/s1
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n/an/a 1.40n/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))
BDBM287517
PNG
((S)-8-((1-(1-acryloylazetidin-3-yl)pyrrolidin-2-yl...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C[C@@H]3CCCN3C3CN(C3)C(=O)C=C)c2n1 |r,wU:24.24,(-6.67,-.86,;-6.67,.68,;-5.33,1.45,;-5.33,2.99,;-4,3.76,;-2.67,2.99,;-1.33,3.76,;,2.99,;1.33,3.76,;1.33,5.3,;,6.07,;2.67,6.07,;2.67,7.61,;4,8.38,;4,5.3,;4,3.76,;5.33,2.99,;6.67,3.76,;2.67,2.99,;2.67,1.45,;,1.45,;1.33,.68,;-1.33,.68,;-1.33,-.86,;-2.67,-1.63,;-4.13,-1.16,;-5.04,-2.4,;-4.13,-3.65,;-2.67,-3.17,;-1.58,-4.26,;-1.58,-5.8,;-.04,-5.8,;-.04,-4.26,;1.05,-6.89,;.65,-8.38,;2.54,-6.49,;3.63,-7.58,;-2.67,1.45,;-4,.68,)|
Show InChI InChI=1S/C27H30Cl2N6O4/c1-5-21(36)33-12-17(13-33)34-8-6-7-16(34)14-35-25-15(11-31-27(30-2)32-25)9-18(26(35)37)22-23(28)19(38-3)10-20(39-4)24(22)29/h5,9-11,16-17H,1,6-8,12-14H2,2-4H3,(H,30,31,32)/t16-/m0/s1
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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))
BDBM287517
PNG
((S)-8-((1-(1-acryloylazetidin-3-yl)pyrrolidin-2-yl...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C[C@@H]3CCCN3C3CN(C3)C(=O)C=C)c2n1 |r,wU:24.24,(-6.67,-.86,;-6.67,.68,;-5.33,1.45,;-5.33,2.99,;-4,3.76,;-2.67,2.99,;-1.33,3.76,;,2.99,;1.33,3.76,;1.33,5.3,;,6.07,;2.67,6.07,;2.67,7.61,;4,8.38,;4,5.3,;4,3.76,;5.33,2.99,;6.67,3.76,;2.67,2.99,;2.67,1.45,;,1.45,;1.33,.68,;-1.33,.68,;-1.33,-.86,;-2.67,-1.63,;-4.13,-1.16,;-5.04,-2.4,;-4.13,-3.65,;-2.67,-3.17,;-1.58,-4.26,;-1.58,-5.8,;-.04,-5.8,;-.04,-4.26,;1.05,-6.89,;.65,-8.38,;2.54,-6.49,;3.63,-7.58,;-2.67,1.45,;-4,.68,)|
Show InChI InChI=1S/C27H30Cl2N6O4/c1-5-21(36)33-12-17(13-33)34-8-6-7-16(34)14-35-25-15(11-31-27(30-2)32-25)9-18(26(35)37)22-23(28)19(38-3)10-20(39-4)24(22)29/h5,9-11,16-17H,1,6-8,12-14H2,2-4H3,(H,30,31,32)/t16-/m0/s1
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n/an/a 5n/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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287517
PNG
((S)-8-((1-(1-acryloylazetidin-3-yl)pyrrolidin-2-yl...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C[C@@H]3CCCN3C3CN(C3)C(=O)C=C)c2n1 |r,wU:24.24,(-6.67,-.86,;-6.67,.68,;-5.33,1.45,;-5.33,2.99,;-4,3.76,;-2.67,2.99,;-1.33,3.76,;,2.99,;1.33,3.76,;1.33,5.3,;,6.07,;2.67,6.07,;2.67,7.61,;4,8.38,;4,5.3,;4,3.76,;5.33,2.99,;6.67,3.76,;2.67,2.99,;2.67,1.45,;,1.45,;1.33,.68,;-1.33,.68,;-1.33,-.86,;-2.67,-1.63,;-4.13,-1.16,;-5.04,-2.4,;-4.13,-3.65,;-2.67,-3.17,;-1.58,-4.26,;-1.58,-5.8,;-.04,-5.8,;-.04,-4.26,;1.05,-6.89,;.65,-8.38,;2.54,-6.49,;3.63,-7.58,;-2.67,1.45,;-4,.68,)|
Show InChI InChI=1S/C27H30Cl2N6O4/c1-5-21(36)33-12-17(13-33)34-8-6-7-16(34)14-35-25-15(11-31-27(30-2)32-25)9-18(26(35)37)22-23(28)19(38-3)10-20(39-4)24(22)29/h5,9-11,16-17H,1,6-8,12-14H2,2-4H3,(H,30,31,32)/t16-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



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