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SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCC3CCOCC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O

InChI Key: InChIKey=DLLAXFDTFVKUAV-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 = 287006   
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))
BDBM287006
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCC3CCOCC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(3.33,8.47,;4.67,7.7,;4.67,6.16,;6,5.39,;6,3.85,;7.34,3.08,;8.67,3.85,;4.67,3.08,;4.67,1.54,;3.33,3.85,;3.33,5.39,;2,6.16,;2,3.08,;.67,3.85,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-6,-1.54,;-7.34,-.77,;-8.67,-1.54,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;3.33,-5.39,;4.67,-6.16,;6,-5.39,;6,-3.85,;4.67,-3.08,;7.34,-6.16,;8.67,-5.39,;7.34,-7.7,;8.67,-8.47,;2,1.54,;3.33,.77,)|
Show InChI InChI=1S/C31H38Cl2N6O5/c1-4-25(40)38-12-10-37(11-13-38)8-5-9-39-29-21(19-35-31(36-29)34-18-20-6-14-44-15-7-20)16-22(30(39)41)26-27(32)23(42-2)17-24(43-3)28(26)33/h4,16-17,19-20H,1,5-15,18H2,2-3H3,(H,34,35,36)
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US Patent
n/an/a 0.700n/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))
BDBM287006
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCC3CCOCC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(3.33,8.47,;4.67,7.7,;4.67,6.16,;6,5.39,;6,3.85,;7.34,3.08,;8.67,3.85,;4.67,3.08,;4.67,1.54,;3.33,3.85,;3.33,5.39,;2,6.16,;2,3.08,;.67,3.85,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-6,-1.54,;-7.34,-.77,;-8.67,-1.54,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;3.33,-5.39,;4.67,-6.16,;6,-5.39,;6,-3.85,;4.67,-3.08,;7.34,-6.16,;8.67,-5.39,;7.34,-7.7,;8.67,-8.47,;2,1.54,;3.33,.77,)|
Show InChI InChI=1S/C31H38Cl2N6O5/c1-4-25(40)38-12-10-37(11-13-38)8-5-9-39-29-21(19-35-31(36-29)34-18-20-6-14-44-15-7-20)16-22(30(39)41)26-27(32)23(42-2)17-24(43-3)28(26)33/h4,16-17,19-20H,1,5-15,18H2,2-3H3,(H,34,35,36)
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n/an/a 0.700n/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))
BDBM287006
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCC3CCOCC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(3.33,8.47,;4.67,7.7,;4.67,6.16,;6,5.39,;6,3.85,;7.34,3.08,;8.67,3.85,;4.67,3.08,;4.67,1.54,;3.33,3.85,;3.33,5.39,;2,6.16,;2,3.08,;.67,3.85,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-6,-1.54,;-7.34,-.77,;-8.67,-1.54,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;3.33,-5.39,;4.67,-6.16,;6,-5.39,;6,-3.85,;4.67,-3.08,;7.34,-6.16,;8.67,-5.39,;7.34,-7.7,;8.67,-8.47,;2,1.54,;3.33,.77,)|
Show InChI InChI=1S/C31H38Cl2N6O5/c1-4-25(40)38-12-10-37(11-13-38)8-5-9-39-29-21(19-35-31(36-29)34-18-20-6-14-44-15-7-20)16-22(30(39)41)26-27(32)23(42-2)17-24(43-3)28(26)33/h4,16-17,19-20H,1,5-15,18H2,2-3H3,(H,34,35,36)
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n/an/a 0.700n/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))
BDBM287006
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCC3CCOCC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(3.33,8.47,;4.67,7.7,;4.67,6.16,;6,5.39,;6,3.85,;7.34,3.08,;8.67,3.85,;4.67,3.08,;4.67,1.54,;3.33,3.85,;3.33,5.39,;2,6.16,;2,3.08,;.67,3.85,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-6,-1.54,;-7.34,-.77,;-8.67,-1.54,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;3.33,-5.39,;4.67,-6.16,;6,-5.39,;6,-3.85,;4.67,-3.08,;7.34,-6.16,;8.67,-5.39,;7.34,-7.7,;8.67,-8.47,;2,1.54,;3.33,.77,)|
Show InChI InChI=1S/C31H38Cl2N6O5/c1-4-25(40)38-12-10-37(11-13-38)8-5-9-39-29-21(19-35-31(36-29)34-18-20-6-14-44-15-7-20)16-22(30(39)41)26-27(32)23(42-2)17-24(43-3)28(26)33/h4,16-17,19-20H,1,5-15,18H2,2-3H3,(H,34,35,36)
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n/an/a 3.70n/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))
BDBM287006
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCC3CCOCC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(3.33,8.47,;4.67,7.7,;4.67,6.16,;6,5.39,;6,3.85,;7.34,3.08,;8.67,3.85,;4.67,3.08,;4.67,1.54,;3.33,3.85,;3.33,5.39,;2,6.16,;2,3.08,;.67,3.85,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-6,-1.54,;-7.34,-.77,;-8.67,-1.54,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;3.33,-5.39,;4.67,-6.16,;6,-5.39,;6,-3.85,;4.67,-3.08,;7.34,-6.16,;8.67,-5.39,;7.34,-7.7,;8.67,-8.47,;2,1.54,;3.33,.77,)|
Show InChI InChI=1S/C31H38Cl2N6O5/c1-4-25(40)38-12-10-37(11-13-38)8-5-9-39-29-21(19-35-31(36-29)34-18-20-6-14-44-15-7-20)16-22(30(39)41)26-27(32)23(42-2)17-24(43-3)28(26)33/h4,16-17,19-20H,1,5-15,18H2,2-3H3,(H,34,35,36)
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n/an/a 3.70n/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