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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 = 'BDBM286391'   
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))
BDBM286391
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC(C)C)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,;-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/C28H34Cl2N6O4/c1-6-22(37)35-12-10-34(11-13-35)8-7-9-36-26-18(16-31-28(33-26)32-17(2)3)14-19(27(36)38)23-24(29)20(39-4)15-21(40-5)25(23)30/h6,14-17H,1,7-13H2,2-5H3,(H,31,32,33)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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))
BDBM286391
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC(C)C)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,;-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/C28H34Cl2N6O4/c1-6-22(37)35-12-10-34(11-13-35)8-7-9-36-26-18(16-31-28(33-26)32-17(2)3)14-19(27(36)38)23-24(29)20(39-4)15-21(40-5)25(23)30/h6,14-17H,1,7-13H2,2-5H3,(H,31,32,33)
PDB
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n/an/a 0.400n/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))
BDBM286391
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC(C)C)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,;-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/C28H34Cl2N6O4/c1-6-22(37)35-12-10-34(11-13-35)8-7-9-36-26-18(16-31-28(33-26)32-17(2)3)14-19(27(36)38)23-24(29)20(39-4)15-21(40-5)25(23)30/h6,14-17H,1,7-13H2,2-5H3,(H,31,32,33)
PDB
MMDB

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PC cid
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US Patent
n/an/a 0.400n/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))
BDBM286391
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC(C)C)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,;-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/C28H34Cl2N6O4/c1-6-22(37)35-12-10-34(11-13-35)8-7-9-36-26-18(16-31-28(33-26)32-17(2)3)14-19(27(36)38)23-24(29)20(39-4)15-21(40-5)25(23)30/h6,14-17H,1,7-13H2,2-5H3,(H,31,32,33)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/a 2.70n/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