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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 = 'BDBM287534'   
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))
BDBM287534
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCCN3CCOCC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |(6.39,7.86,;5.06,7.09,;5.06,5.55,;6.39,4.78,;6.39,3.24,;7.73,2.47,;9.06,3.24,;5.06,2.47,;5.06,.93,;3.72,3.24,;3.72,4.78,;2.39,5.55,;2.39,2.47,;1.06,3.24,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-2.94,.93,;-4.28,.16,;-4.28,-1.38,;-5.61,-2.15,;-5.61,-3.69,;-6.94,-4.46,;-8.28,-3.69,;-9.61,-4.46,;-9.61,-6,;-8.28,-6.77,;-6.94,-6,;-1.61,.16,;-.28,.93,;1.06,.16,;1.06,-1.38,;2.39,-2.15,;2.39,-3.69,;3.72,-4.46,;4.12,-5.95,;5.61,-5.55,;5.21,-4.06,;6.94,-6.32,;6.94,-7.86,;8.28,-5.55,;9.61,-6.32,;2.39,.93,;3.72,.16,)|
Show InChI InChI=1S/C30H36Cl2N6O6/c1-4-24(39)37-17-20(18-37)44-13-10-38-28-19(16-34-30(35-28)33-6-5-7-36-8-11-43-12-9-36)14-21(29(38)40)25-26(31)22(41-2)15-23(42-3)27(25)32/h4,14-16,20H,1,5-13,17-18H2,2-3H3,(H,33,34,35)
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n/an/a 3.20n/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 1


(Homo sapiens (Human))
BDBM287534
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCCN3CCOCC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |(6.39,7.86,;5.06,7.09,;5.06,5.55,;6.39,4.78,;6.39,3.24,;7.73,2.47,;9.06,3.24,;5.06,2.47,;5.06,.93,;3.72,3.24,;3.72,4.78,;2.39,5.55,;2.39,2.47,;1.06,3.24,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-2.94,.93,;-4.28,.16,;-4.28,-1.38,;-5.61,-2.15,;-5.61,-3.69,;-6.94,-4.46,;-8.28,-3.69,;-9.61,-4.46,;-9.61,-6,;-8.28,-6.77,;-6.94,-6,;-1.61,.16,;-.28,.93,;1.06,.16,;1.06,-1.38,;2.39,-2.15,;2.39,-3.69,;3.72,-4.46,;4.12,-5.95,;5.61,-5.55,;5.21,-4.06,;6.94,-6.32,;6.94,-7.86,;8.28,-5.55,;9.61,-6.32,;2.39,.93,;3.72,.16,)|
Show InChI InChI=1S/C30H36Cl2N6O6/c1-4-24(39)37-17-20(18-37)44-13-10-38-28-19(16-34-30(35-28)33-6-5-7-36-8-11-43-12-9-36)14-21(29(38)40)25-26(31)22(41-2)15-23(42-3)27(25)32/h4,14-16,20H,1,5-13,17-18H2,2-3H3,(H,33,34,35)
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n/an/a 4.20n/an/an/an/an/an/a


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))
BDBM287534
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCCN3CCOCC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |(6.39,7.86,;5.06,7.09,;5.06,5.55,;6.39,4.78,;6.39,3.24,;7.73,2.47,;9.06,3.24,;5.06,2.47,;5.06,.93,;3.72,3.24,;3.72,4.78,;2.39,5.55,;2.39,2.47,;1.06,3.24,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-2.94,.93,;-4.28,.16,;-4.28,-1.38,;-5.61,-2.15,;-5.61,-3.69,;-6.94,-4.46,;-8.28,-3.69,;-9.61,-4.46,;-9.61,-6,;-8.28,-6.77,;-6.94,-6,;-1.61,.16,;-.28,.93,;1.06,.16,;1.06,-1.38,;2.39,-2.15,;2.39,-3.69,;3.72,-4.46,;4.12,-5.95,;5.61,-5.55,;5.21,-4.06,;6.94,-6.32,;6.94,-7.86,;8.28,-5.55,;9.61,-6.32,;2.39,.93,;3.72,.16,)|
Show InChI InChI=1S/C30H36Cl2N6O6/c1-4-24(39)37-17-20(18-37)44-13-10-38-28-19(16-34-30(35-28)33-6-5-7-36-8-11-43-12-9-36)14-21(29(38)40)25-26(31)22(41-2)15-23(42-3)27(25)32/h4,14-16,20H,1,5-13,17-18H2,2-3H3,(H,33,34,35)
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n/an/a 4.20n/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))
BDBM287534
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCCN3CCOCC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |(6.39,7.86,;5.06,7.09,;5.06,5.55,;6.39,4.78,;6.39,3.24,;7.73,2.47,;9.06,3.24,;5.06,2.47,;5.06,.93,;3.72,3.24,;3.72,4.78,;2.39,5.55,;2.39,2.47,;1.06,3.24,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-2.94,.93,;-4.28,.16,;-4.28,-1.38,;-5.61,-2.15,;-5.61,-3.69,;-6.94,-4.46,;-8.28,-3.69,;-9.61,-4.46,;-9.61,-6,;-8.28,-6.77,;-6.94,-6,;-1.61,.16,;-.28,.93,;1.06,.16,;1.06,-1.38,;2.39,-2.15,;2.39,-3.69,;3.72,-4.46,;4.12,-5.95,;5.61,-5.55,;5.21,-4.06,;6.94,-6.32,;6.94,-7.86,;8.28,-5.55,;9.61,-6.32,;2.39,.93,;3.72,.16,)|
Show InChI InChI=1S/C30H36Cl2N6O6/c1-4-24(39)37-17-20(18-37)44-13-10-38-28-19(16-34-30(35-28)33-6-5-7-36-8-11-43-12-9-36)14-21(29(38)40)25-26(31)22(41-2)15-23(42-3)27(25)32/h4,14-16,20H,1,5-13,17-18H2,2-3H3,(H,33,34,35)
PDB
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n/an/a 4.20n/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