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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 1' and Ligand = 'BDBM287553'   
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))
BDBM287553
PNG
((R)-8-(2-((1-acryloylazetidin-3-yl)(methyl)amino)p...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C[C@@H](C)N(C)C3CN(C3)C(=O)C=C)c2n1 |r,wU:24.25,(-6.94,-1.38,;-6.94,.16,;-5.61,.93,;-5.61,2.47,;-4.28,3.24,;-2.94,2.47,;-1.61,3.24,;-.28,2.47,;1.06,3.24,;1.06,4.78,;-.28,5.55,;2.39,5.55,;2.39,7.09,;3.72,7.86,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;-.28,.93,;1.06,.16,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;1.06,-1.38,;-.28,-3.69,;-1.61,-4.46,;1.06,-4.46,;1.46,-5.95,;2.94,-5.55,;2.55,-4.06,;4.28,-6.32,;4.28,-7.86,;5.61,-5.55,;6.94,-6.32,;-2.94,.93,;-4.28,.16,)|
Show InChI InChI=1S/C26H30Cl2N6O4/c1-7-20(35)33-12-16(13-33)32(4)14(2)11-34-24-15(10-30-26(29-3)31-24)8-17(25(34)36)21-22(27)18(37-5)9-19(38-6)23(21)28/h7-10,14,16H,1,11-13H2,2-6H3,(H,29,30,31)/t14-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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))
BDBM287553
PNG
((R)-8-(2-((1-acryloylazetidin-3-yl)(methyl)amino)p...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C[C@@H](C)N(C)C3CN(C3)C(=O)C=C)c2n1 |r,wU:24.25,(-6.94,-1.38,;-6.94,.16,;-5.61,.93,;-5.61,2.47,;-4.28,3.24,;-2.94,2.47,;-1.61,3.24,;-.28,2.47,;1.06,3.24,;1.06,4.78,;-.28,5.55,;2.39,5.55,;2.39,7.09,;3.72,7.86,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;-.28,.93,;1.06,.16,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;1.06,-1.38,;-.28,-3.69,;-1.61,-4.46,;1.06,-4.46,;1.46,-5.95,;2.94,-5.55,;2.55,-4.06,;4.28,-6.32,;4.28,-7.86,;5.61,-5.55,;6.94,-6.32,;-2.94,.93,;-4.28,.16,)|
Show InChI InChI=1S/C26H30Cl2N6O4/c1-7-20(35)33-12-16(13-33)32(4)14(2)11-34-24-15(10-30-26(29-3)31-24)8-17(25(34)36)21-22(27)18(37-5)9-19(38-6)23(21)28/h7-10,14,16H,1,11-13H2,2-6H3,(H,29,30,31)/t14-/m1/s1
PDB
MMDB

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n/an/a 1.10n/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))
BDBM287553
PNG
((R)-8-(2-((1-acryloylazetidin-3-yl)(methyl)amino)p...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C[C@@H](C)N(C)C3CN(C3)C(=O)C=C)c2n1 |r,wU:24.25,(-6.94,-1.38,;-6.94,.16,;-5.61,.93,;-5.61,2.47,;-4.28,3.24,;-2.94,2.47,;-1.61,3.24,;-.28,2.47,;1.06,3.24,;1.06,4.78,;-.28,5.55,;2.39,5.55,;2.39,7.09,;3.72,7.86,;3.72,4.78,;3.72,3.24,;5.06,2.47,;6.39,3.24,;2.39,2.47,;2.39,.93,;-.28,.93,;1.06,.16,;-1.61,.16,;-1.61,-1.38,;-.28,-2.15,;1.06,-1.38,;-.28,-3.69,;-1.61,-4.46,;1.06,-4.46,;1.46,-5.95,;2.94,-5.55,;2.55,-4.06,;4.28,-6.32,;4.28,-7.86,;5.61,-5.55,;6.94,-6.32,;-2.94,.93,;-4.28,.16,)|
Show InChI InChI=1S/C26H30Cl2N6O4/c1-7-20(35)33-12-16(13-33)32(4)14(2)11-34-24-15(10-30-26(29-3)31-24)8-17(25(34)36)21-22(27)18(37-5)9-19(38-6)23(21)28/h7-10,14,16H,1,11-13H2,2-6H3,(H,29,30,31)/t14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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