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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 = 'BDBM287545'   
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))
BDBM287545
PNG
(1-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-3-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCN3CCOCC3)cc2n(CCOC2CN(C2)C(=O)C=C)c1=O |(5.06,7.86,;3.72,7.09,;3.72,5.55,;5.06,4.78,;5.06,3.24,;6.39,2.47,;7.73,3.24,;3.72,2.47,;3.72,.93,;2.39,3.24,;2.39,4.78,;1.06,5.55,;1.06,2.47,;-.28,3.24,;-1.61,2.47,;-2.94,3.24,;-4.28,2.47,;-4.28,.93,;-5.61,.16,;-5.61,-1.38,;-6.94,-2.15,;-6.94,-3.69,;-8.28,-4.46,;-8.28,-6,;-6.94,-6.77,;-5.61,-6,;-5.61,-4.46,;-2.94,.16,;-1.61,.93,;-.28,.16,;-.28,-1.38,;1.06,-2.15,;1.06,-3.69,;2.39,-4.46,;2.79,-5.95,;4.28,-5.55,;3.88,-4.06,;5.61,-6.32,;5.61,-7.86,;6.94,-5.55,;8.28,-6.32,;1.06,.93,;2.39,.16,)|
Show InChI InChI=1S/C30H35Cl2N5O6/c1-4-26(38)36-17-20(18-36)43-12-9-37-22-14-25(33-5-6-35-7-10-42-11-8-35)34-16-19(22)13-21(30(37)39)27-28(31)23(40-2)15-24(41-3)29(27)32/h4,13-16,20H,1,5-12,17-18H2,2-3H3,(H,33,34)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
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))
BDBM287545
PNG
(1-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-3-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCN3CCOCC3)cc2n(CCOC2CN(C2)C(=O)C=C)c1=O |(5.06,7.86,;3.72,7.09,;3.72,5.55,;5.06,4.78,;5.06,3.24,;6.39,2.47,;7.73,3.24,;3.72,2.47,;3.72,.93,;2.39,3.24,;2.39,4.78,;1.06,5.55,;1.06,2.47,;-.28,3.24,;-1.61,2.47,;-2.94,3.24,;-4.28,2.47,;-4.28,.93,;-5.61,.16,;-5.61,-1.38,;-6.94,-2.15,;-6.94,-3.69,;-8.28,-4.46,;-8.28,-6,;-6.94,-6.77,;-5.61,-6,;-5.61,-4.46,;-2.94,.16,;-1.61,.93,;-.28,.16,;-.28,-1.38,;1.06,-2.15,;1.06,-3.69,;2.39,-4.46,;2.79,-5.95,;4.28,-5.55,;3.88,-4.06,;5.61,-6.32,;5.61,-7.86,;6.94,-5.55,;8.28,-6.32,;1.06,.93,;2.39,.16,)|
Show InChI InChI=1S/C30H35Cl2N5O6/c1-4-26(38)36-17-20(18-36)43-12-9-37-22-14-25(33-5-6-35-7-10-42-11-8-35)34-16-19(22)13-21(30(37)39)27-28(31)23(40-2)15-24(41-3)29(27)32/h4,13-16,20H,1,5-12,17-18H2,2-3H3,(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/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))
BDBM287545
PNG
(1-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-3-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCN3CCOCC3)cc2n(CCOC2CN(C2)C(=O)C=C)c1=O |(5.06,7.86,;3.72,7.09,;3.72,5.55,;5.06,4.78,;5.06,3.24,;6.39,2.47,;7.73,3.24,;3.72,2.47,;3.72,.93,;2.39,3.24,;2.39,4.78,;1.06,5.55,;1.06,2.47,;-.28,3.24,;-1.61,2.47,;-2.94,3.24,;-4.28,2.47,;-4.28,.93,;-5.61,.16,;-5.61,-1.38,;-6.94,-2.15,;-6.94,-3.69,;-8.28,-4.46,;-8.28,-6,;-6.94,-6.77,;-5.61,-6,;-5.61,-4.46,;-2.94,.16,;-1.61,.93,;-.28,.16,;-.28,-1.38,;1.06,-2.15,;1.06,-3.69,;2.39,-4.46,;2.79,-5.95,;4.28,-5.55,;3.88,-4.06,;5.61,-6.32,;5.61,-7.86,;6.94,-5.55,;8.28,-6.32,;1.06,.93,;2.39,.16,)|
Show InChI InChI=1S/C30H35Cl2N5O6/c1-4-26(38)36-17-20(18-36)43-12-9-37-22-14-25(33-5-6-35-7-10-42-11-8-35)34-16-19(22)13-21(30(37)39)27-28(31)23(40-2)15-24(41-3)29(27)32/h4,13-16,20H,1,5-12,17-18H2,2-3H3,(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/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