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BDBM287012 8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one::US10294223, Cpd No. 37::US9567334, Example 37::US9815834, Compound 37

SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC3CCOCC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O

InChI Key: InChIKey=AKINNIMWOKBQKR-UHFFFAOYSA-N

Data: 3 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 = 287012   
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))
BDBM287012
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC3CCOCC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(2,8.47,;3.33,7.7,;3.33,6.16,;4.67,5.39,;4.67,3.85,;6,3.08,;7.34,3.85,;3.33,3.08,;3.33,1.54,;2,3.85,;2,5.39,;.67,6.16,;.67,3.08,;-.67,3.85,;-2,3.08,;-3.33,3.85,;-4.67,3.08,;-4.67,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;3.33,-3.08,;6,-6.16,;7.34,-5.39,;6,-7.7,;7.34,-8.47,;.67,1.54,;2,.77,)|
Show InChI InChI=1S/C30H36Cl2N6O5/c1-4-24(39)37-12-10-36(11-13-37)8-5-9-38-28-19(18-33-30(35-28)34-20-6-14-43-15-7-20)16-21(29(38)40)25-26(31)22(41-2)17-23(42-3)27(25)32/h4,16-18,20H,1,5-15H2,2-3H3,(H,33,34,35)
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US Patent
n/an/a 1n/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))
BDBM287012
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC3CCOCC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(2,8.47,;3.33,7.7,;3.33,6.16,;4.67,5.39,;4.67,3.85,;6,3.08,;7.34,3.85,;3.33,3.08,;3.33,1.54,;2,3.85,;2,5.39,;.67,6.16,;.67,3.08,;-.67,3.85,;-2,3.08,;-3.33,3.85,;-4.67,3.08,;-4.67,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;3.33,-3.08,;6,-6.16,;7.34,-5.39,;6,-7.7,;7.34,-8.47,;.67,1.54,;2,.77,)|
Show InChI InChI=1S/C30H36Cl2N6O5/c1-4-24(39)37-12-10-36(11-13-37)8-5-9-38-28-19(18-33-30(35-28)34-20-6-14-43-15-7-20)16-21(29(38)40)25-26(31)22(41-2)17-23(42-3)27(25)32/h4,16-18,20H,1,5-15H2,2-3H3,(H,33,34,35)
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TBA



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


(Homo sapiens (Human))
BDBM287012
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC3CCOCC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(2,8.47,;3.33,7.7,;3.33,6.16,;4.67,5.39,;4.67,3.85,;6,3.08,;7.34,3.85,;3.33,3.08,;3.33,1.54,;2,3.85,;2,5.39,;.67,6.16,;.67,3.08,;-.67,3.85,;-2,3.08,;-3.33,3.85,;-4.67,3.08,;-4.67,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;3.33,-3.08,;6,-6.16,;7.34,-5.39,;6,-7.7,;7.34,-8.47,;.67,1.54,;2,.77,)|
Show InChI InChI=1S/C30H36Cl2N6O5/c1-4-24(39)37-12-10-36(11-13-37)8-5-9-38-28-19(18-33-30(35-28)34-20-6-14-43-15-7-20)16-21(29(38)40)25-26(31)22(41-2)17-23(42-3)27(25)32/h4,16-18,20H,1,5-15H2,2-3H3,(H,33,34,35)
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US Patent
n/an/a 1.80n/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))
BDBM287012
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC3CCOCC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(2,8.47,;3.33,7.7,;3.33,6.16,;4.67,5.39,;4.67,3.85,;6,3.08,;7.34,3.85,;3.33,3.08,;3.33,1.54,;2,3.85,;2,5.39,;.67,6.16,;.67,3.08,;-.67,3.85,;-2,3.08,;-3.33,3.85,;-4.67,3.08,;-4.67,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;3.33,-3.08,;6,-6.16,;7.34,-5.39,;6,-7.7,;7.34,-8.47,;.67,1.54,;2,.77,)|
Show InChI InChI=1S/C30H36Cl2N6O5/c1-4-24(39)37-12-10-36(11-13-37)8-5-9-38-28-19(18-33-30(35-28)34-20-6-14-43-15-7-20)16-21(29(38)40)25-26(31)22(41-2)17-23(42-3)27(25)32/h4,16-18,20H,1,5-15H2,2-3H3,(H,33,34,35)
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n/an/a 1.80n/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