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SMILES: CCNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(CCOC)C3CN(C3)C(=O)C=C)c2n1

InChI Key: InChIKey=UWGPKLQEDALKIM-UHFFFAOYSA-N

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 = 287541   
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))		BDBM287541
PNG
(8-(2-((1-acryloylazetidin-3-yl)(2-methoxyethyl)ami...)
Show SMILES CCNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(CCOC)C3CN(C3)C(=O)C=C)c2n1 |(-7.61,-2.15,;-6.28,-1.38,;-6.28,.16,;-4.94,.93,;-4.94,2.47,;-3.61,3.24,;-2.28,2.47,;-.94,3.24,;.39,2.47,;1.72,3.24,;1.72,4.78,;.39,5.55,;3.06,5.55,;3.06,7.09,;4.39,7.86,;4.39,4.78,;4.39,3.24,;5.73,2.47,;7.06,3.24,;3.06,2.47,;3.06,.93,;.39,.93,;1.72,.16,;-.94,.16,;-.94,-1.38,;.39,-2.15,;.39,-3.69,;-.94,-4.46,;-2.28,-3.69,;-3.61,-4.46,;-4.94,-3.69,;1.72,-4.46,;2.12,-5.95,;3.61,-5.55,;3.21,-4.06,;4.94,-6.32,;4.94,-7.86,;6.28,-5.55,;7.61,-6.32,;-2.28,.93,;-3.61,.16,)|
Show InChI InChI=1S/C28H34Cl2N6O5/c1-6-22(37)35-15-18(16-35)34(10-11-39-3)8-9-36-26-17(14-32-28(33-26)31-7-2)12-19(27(36)38)23-24(29)20(40-4)13-21(41-5)25(23)30/h6,12-14,18H,1,7-11,15-16H2,2-5H3,(H,31,32,33)
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n/an/a 1.70n/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))		BDBM287541
PNG
(8-(2-((1-acryloylazetidin-3-yl)(2-methoxyethyl)ami...)
Show SMILES CCNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(CCOC)C3CN(C3)C(=O)C=C)c2n1 |(-7.61,-2.15,;-6.28,-1.38,;-6.28,.16,;-4.94,.93,;-4.94,2.47,;-3.61,3.24,;-2.28,2.47,;-.94,3.24,;.39,2.47,;1.72,3.24,;1.72,4.78,;.39,5.55,;3.06,5.55,;3.06,7.09,;4.39,7.86,;4.39,4.78,;4.39,3.24,;5.73,2.47,;7.06,3.24,;3.06,2.47,;3.06,.93,;.39,.93,;1.72,.16,;-.94,.16,;-.94,-1.38,;.39,-2.15,;.39,-3.69,;-.94,-4.46,;-2.28,-3.69,;-3.61,-4.46,;-4.94,-3.69,;1.72,-4.46,;2.12,-5.95,;3.61,-5.55,;3.21,-4.06,;4.94,-6.32,;4.94,-7.86,;6.28,-5.55,;7.61,-6.32,;-2.28,.93,;-3.61,.16,)|
Show InChI InChI=1S/C28H34Cl2N6O5/c1-6-22(37)35-15-18(16-35)34(10-11-39-3)8-9-36-26-17(14-32-28(33-26)31-7-2)12-19(27(36)38)23-24(29)20(40-4)13-21(41-5)25(23)30/h6,12-14,18H,1,7-11,15-16H2,2-5H3,(H,31,32,33)
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n/an/a 1.70n/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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM287541
PNG
(8-(2-((1-acryloylazetidin-3-yl)(2-methoxyethyl)ami...)
Show SMILES CCNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(CCOC)C3CN(C3)C(=O)C=C)c2n1 |(-7.61,-2.15,;-6.28,-1.38,;-6.28,.16,;-4.94,.93,;-4.94,2.47,;-3.61,3.24,;-2.28,2.47,;-.94,3.24,;.39,2.47,;1.72,3.24,;1.72,4.78,;.39,5.55,;3.06,5.55,;3.06,7.09,;4.39,7.86,;4.39,4.78,;4.39,3.24,;5.73,2.47,;7.06,3.24,;3.06,2.47,;3.06,.93,;.39,.93,;1.72,.16,;-.94,.16,;-.94,-1.38,;.39,-2.15,;.39,-3.69,;-.94,-4.46,;-2.28,-3.69,;-3.61,-4.46,;-4.94,-3.69,;1.72,-4.46,;2.12,-5.95,;3.61,-5.55,;3.21,-4.06,;4.94,-6.32,;4.94,-7.86,;6.28,-5.55,;7.61,-6.32,;-2.28,.93,;-3.61,.16,)|
Show InChI InChI=1S/C28H34Cl2N6O5/c1-6-22(37)35-15-18(16-35)34(10-11-39-3)8-9-36-26-17(14-32-28(33-26)31-7-2)12-19(27(36)38)23-24(29)20(40-4)13-21(41-5)25(23)30/h6,12-14,18H,1,7-11,15-16H2,2-5H3,(H,31,32,33)
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n/an/a 1.70n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM287541
PNG
(8-(2-((1-acryloylazetidin-3-yl)(2-methoxyethyl)ami...)
Show SMILES CCNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(CCOC)C3CN(C3)C(=O)C=C)c2n1 |(-7.61,-2.15,;-6.28,-1.38,;-6.28,.16,;-4.94,.93,;-4.94,2.47,;-3.61,3.24,;-2.28,2.47,;-.94,3.24,;.39,2.47,;1.72,3.24,;1.72,4.78,;.39,5.55,;3.06,5.55,;3.06,7.09,;4.39,7.86,;4.39,4.78,;4.39,3.24,;5.73,2.47,;7.06,3.24,;3.06,2.47,;3.06,.93,;.39,.93,;1.72,.16,;-.94,.16,;-.94,-1.38,;.39,-2.15,;.39,-3.69,;-.94,-4.46,;-2.28,-3.69,;-3.61,-4.46,;-4.94,-3.69,;1.72,-4.46,;2.12,-5.95,;3.61,-5.55,;3.21,-4.06,;4.94,-6.32,;4.94,-7.86,;6.28,-5.55,;7.61,-6.32,;-2.28,.93,;-3.61,.16,)|
Show InChI InChI=1S/C28H34Cl2N6O5/c1-6-22(37)35-15-18(16-35)34(10-11-39-3)8-9-36-26-17(14-32-28(33-26)31-7-2)12-19(27(36)38)23-24(29)20(40-4)13-21(41-5)25(23)30/h6,12-14,18H,1,7-11,15-16H2,2-5H3,(H,31,32,33)
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n/an/a 1.70n/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))		BDBM287541
PNG
(8-(2-((1-acryloylazetidin-3-yl)(2-methoxyethyl)ami...)
Show SMILES CCNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(CCOC)C3CN(C3)C(=O)C=C)c2n1 |(-7.61,-2.15,;-6.28,-1.38,;-6.28,.16,;-4.94,.93,;-4.94,2.47,;-3.61,3.24,;-2.28,2.47,;-.94,3.24,;.39,2.47,;1.72,3.24,;1.72,4.78,;.39,5.55,;3.06,5.55,;3.06,7.09,;4.39,7.86,;4.39,4.78,;4.39,3.24,;5.73,2.47,;7.06,3.24,;3.06,2.47,;3.06,.93,;.39,.93,;1.72,.16,;-.94,.16,;-.94,-1.38,;.39,-2.15,;.39,-3.69,;-.94,-4.46,;-2.28,-3.69,;-3.61,-4.46,;-4.94,-3.69,;1.72,-4.46,;2.12,-5.95,;3.61,-5.55,;3.21,-4.06,;4.94,-6.32,;4.94,-7.86,;6.28,-5.55,;7.61,-6.32,;-2.28,.93,;-3.61,.16,)|
Show InChI InChI=1S/C28H34Cl2N6O5/c1-6-22(37)35-15-18(16-35)34(10-11-39-3)8-9-36-26-17(14-32-28(33-26)31-7-2)12-19(27(36)38)23-24(29)20(40-4)13-21(41-5)25(23)30/h6,12-14,18H,1,7-11,15-16H2,2-5H3,(H,31,32,33)
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n/an/a 1.70n/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