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BDBM287058 (R)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-((1-methoxypropan-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one::US10294223, Cpd No. 67::US9567334, Example 67::US9815834, Compound 67

SMILES: COC[C@@H](C)Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1

InChI Key: InChIKey=BYEGVFRRTLAAQA-GOSISDBHSA-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 = 287058   
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))
BDBM287058
PNG
((R)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-...)
Show SMILES COC[C@@H](C)Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1 |r,wD:3.3,(-8,-3.85,;-6.67,-3.08,;-6.67,-1.54,;-5.33,-.77,;-4,-1.54,;-5.33,.77,;-4,1.54,;-4,3.08,;-2.67,3.85,;-1.33,3.08,;,3.85,;1.33,3.08,;2.67,3.85,;2.67,5.39,;1.33,6.16,;4,6.16,;4,7.7,;2.67,8.47,;5.33,5.39,;5.33,3.85,;6.67,3.08,;8,3.85,;4,3.08,;4,1.54,;1.33,1.54,;2.67,.77,;,.77,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;4,-3.08,;6.67,-6.16,;8,-5.39,;6.67,-7.7,;8,-8.47,;-1.33,1.54,;-2.67,.77,)|
Show InChI InChI=1S/C29H36Cl2N6O5/c1-6-23(38)36-12-10-35(11-13-36)8-7-9-37-27-19(16-32-29(34-27)33-18(2)17-40-3)14-20(28(37)39)24-25(30)21(41-4)15-22(42-5)26(24)31/h6,14-16,18H,1,7-13,17H2,2-5H3,(H,32,33,34)/t18-/m1/s1
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US Patent
n/an/a 0.800n/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))
BDBM287058
PNG
((R)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-...)
Show SMILES COC[C@@H](C)Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1 |r,wD:3.3,(-8,-3.85,;-6.67,-3.08,;-6.67,-1.54,;-5.33,-.77,;-4,-1.54,;-5.33,.77,;-4,1.54,;-4,3.08,;-2.67,3.85,;-1.33,3.08,;,3.85,;1.33,3.08,;2.67,3.85,;2.67,5.39,;1.33,6.16,;4,6.16,;4,7.7,;2.67,8.47,;5.33,5.39,;5.33,3.85,;6.67,3.08,;8,3.85,;4,3.08,;4,1.54,;1.33,1.54,;2.67,.77,;,.77,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;4,-3.08,;6.67,-6.16,;8,-5.39,;6.67,-7.7,;8,-8.47,;-1.33,1.54,;-2.67,.77,)|
Show InChI InChI=1S/C29H36Cl2N6O5/c1-6-23(38)36-12-10-35(11-13-36)8-7-9-37-27-19(16-32-29(34-27)33-18(2)17-40-3)14-20(28(37)39)24-25(30)21(41-4)15-22(42-5)26(24)31/h6,14-16,18H,1,7-13,17H2,2-5H3,(H,32,33,34)/t18-/m1/s1
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n/an/a 0.800n/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))
US11078199, Cpd 67
PNG
((R)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-...)
Show SMILES COC[C@@H](C)Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1 |r,wD:3.3,(-8,-3.85,;-6.67,-3.08,;-6.67,-1.54,;-5.33,-.77,;-4,-1.54,;-5.33,.77,;-4,1.54,;-4,3.08,;-2.67,3.85,;-1.33,3.08,;,3.85,;1.33,3.08,;2.67,3.85,;2.67,5.39,;1.33,6.16,;4,6.16,;4,7.7,;2.67,8.47,;5.33,5.39,;5.33,3.85,;6.67,3.08,;8,3.85,;4,3.08,;4,1.54,;1.33,1.54,;2.67,.77,;,.77,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;4,-3.08,;6.67,-6.16,;8,-5.39,;6.67,-7.7,;8,-8.47,;-1.33,1.54,;-2.67,.77,)|
Show InChI InChI=1S/C29H36Cl2N6O5/c1-6-23(38)36-12-10-35(11-13-36)8-7-9-37-27-19(16-32-29(34-27)33-18(2)17-40-3)14-20(28(37)39)24-25(30)21(41-4)15-22(42-5)26(24)31/h6,14-16,18H,1,7-13,17H2,2-5H3,(H,32,33,34)/t18-/m1/s1
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n/an/a 0.800n/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))
BDBM287058
PNG
((R)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-...)
Show SMILES COC[C@@H](C)Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1 |r,wD:3.3,(-8,-3.85,;-6.67,-3.08,;-6.67,-1.54,;-5.33,-.77,;-4,-1.54,;-5.33,.77,;-4,1.54,;-4,3.08,;-2.67,3.85,;-1.33,3.08,;,3.85,;1.33,3.08,;2.67,3.85,;2.67,5.39,;1.33,6.16,;4,6.16,;4,7.7,;2.67,8.47,;5.33,5.39,;5.33,3.85,;6.67,3.08,;8,3.85,;4,3.08,;4,1.54,;1.33,1.54,;2.67,.77,;,.77,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;4,-3.08,;6.67,-6.16,;8,-5.39,;6.67,-7.7,;8,-8.47,;-1.33,1.54,;-2.67,.77,)|
Show InChI InChI=1S/C29H36Cl2N6O5/c1-6-23(38)36-12-10-35(11-13-36)8-7-9-37-27-19(16-32-29(34-27)33-18(2)17-40-3)14-20(28(37)39)24-25(30)21(41-4)15-22(42-5)26(24)31/h6,14-16,18H,1,7-13,17H2,2-5H3,(H,32,33,34)/t18-/m1/s1
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n/an/a 4.90n/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))
BDBM287058
PNG
((R)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-...)
Show SMILES COC[C@@H](C)Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1 |r,wD:3.3,(-8,-3.85,;-6.67,-3.08,;-6.67,-1.54,;-5.33,-.77,;-4,-1.54,;-5.33,.77,;-4,1.54,;-4,3.08,;-2.67,3.85,;-1.33,3.08,;,3.85,;1.33,3.08,;2.67,3.85,;2.67,5.39,;1.33,6.16,;4,6.16,;4,7.7,;2.67,8.47,;5.33,5.39,;5.33,3.85,;6.67,3.08,;8,3.85,;4,3.08,;4,1.54,;1.33,1.54,;2.67,.77,;,.77,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;4,-3.08,;6.67,-6.16,;8,-5.39,;6.67,-7.7,;8,-8.47,;-1.33,1.54,;-2.67,.77,)|
Show InChI InChI=1S/C29H36Cl2N6O5/c1-6-23(38)36-12-10-35(11-13-36)8-7-9-37-27-19(16-32-29(34-27)33-18(2)17-40-3)14-20(28(37)39)24-25(30)21(41-4)15-22(42-5)26(24)31/h6,14-16,18H,1,7-13,17H2,2-5H3,(H,32,33,34)/t18-/m1/s1
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n/an/a 4.90n/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