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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 1' and Ligand = 'BDBM287038'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM287038
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCC(F)F)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(2.67,8.47,;4,7.7,;4,6.16,;5.33,5.39,;5.33,3.85,;6.67,3.08,;8,3.85,;4,3.08,;4,1.54,;2.67,3.85,;2.67,5.39,;1.33,6.16,;1.33,3.08,;,3.85,;-1.33,3.08,;-2.67,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-.77,;-2.67,.77,;-1.33,1.54,;,.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/C27H30Cl2F2N6O4/c1-4-21(38)36-10-8-35(9-11-36)6-5-7-37-25-16(14-32-27(34-25)33-15-20(30)31)12-17(26(37)39)22-23(28)18(40-2)13-19(41-3)24(22)29/h4,12-14,20H,1,5-11,15H2,2-3H3,(H,32,33,34)
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US Patent
n/an/a 1.30n/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))
BDBM287038
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCC(F)F)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(2.67,8.47,;4,7.7,;4,6.16,;5.33,5.39,;5.33,3.85,;6.67,3.08,;8,3.85,;4,3.08,;4,1.54,;2.67,3.85,;2.67,5.39,;1.33,6.16,;1.33,3.08,;,3.85,;-1.33,3.08,;-2.67,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-.77,;-2.67,.77,;-1.33,1.54,;,.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/C27H30Cl2F2N6O4/c1-4-21(38)36-10-8-35(9-11-36)6-5-7-37-25-16(14-32-27(34-25)33-15-20(30)31)12-17(26(37)39)22-23(28)18(40-2)13-19(41-3)24(22)29/h4,12-14,20H,1,5-11,15H2,2-3H3,(H,32,33,34)
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DB850W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287038
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCC(F)F)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(2.67,8.47,;4,7.7,;4,6.16,;5.33,5.39,;5.33,3.85,;6.67,3.08,;8,3.85,;4,3.08,;4,1.54,;2.67,3.85,;2.67,5.39,;1.33,6.16,;1.33,3.08,;,3.85,;-1.33,3.08,;-2.67,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-.77,;-2.67,.77,;-1.33,1.54,;,.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/C27H30Cl2F2N6O4/c1-4-21(38)36-10-8-35(9-11-36)6-5-7-37-25-16(14-32-27(34-25)33-15-20(30)31)12-17(26(37)39)22-23(28)18(40-2)13-19(41-3)24(22)29/h4,12-14,20H,1,5-11,15H2,2-3H3,(H,32,33,34)
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n/an/a 1.30n/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))
BDBM287038
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCC(F)F)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |(2.67,8.47,;4,7.7,;4,6.16,;5.33,5.39,;5.33,3.85,;6.67,3.08,;8,3.85,;4,3.08,;4,1.54,;2.67,3.85,;2.67,5.39,;1.33,6.16,;1.33,3.08,;,3.85,;-1.33,3.08,;-2.67,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-.77,;-2.67,.77,;-1.33,1.54,;,.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/C27H30Cl2F2N6O4/c1-4-21(38)36-10-8-35(9-11-36)6-5-7-37-25-16(14-32-27(34-25)33-15-20(30)31)12-17(26(37)39)22-23(28)18(40-2)13-19(41-3)24(22)29/h4,12-14,20H,1,5-11,15H2,2-3H3,(H,32,33,34)
PDB
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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