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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 = 'BDBM287061'   
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))
BDBM287061
PNG
((S)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2-ch...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(N[C@H]3CCOC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |r|
Show InChI InChI=1S/C29H35ClN6O5/c1-4-25(37)35-11-9-34(10-12-35)7-5-8-36-27-19(17-31-29(33-27)32-20-6-13-41-18-20)14-23(28(36)38)22-15-21(39-2)16-24(40-3)26(22)30/h4,14-17,20H,1,5-13,18H2,2-3H3,(H,31,32,33)/t20-/m0/s1
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UniChem
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n/an/a 1.60n/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))
BDBM287061
PNG
((S)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2-ch...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(N[C@H]3CCOC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |r|
Show InChI InChI=1S/C29H35ClN6O5/c1-4-25(37)35-11-9-34(10-12-35)7-5-8-36-27-19(17-31-29(33-27)32-20-6-13-41-18-20)14-23(28(36)38)22-15-21(39-2)16-24(40-3)26(22)30/h4,14-17,20H,1,5-13,18H2,2-3H3,(H,31,32,33)/t20-/m0/s1
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n/an/a 1.60n/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))
BDBM287061
PNG
((S)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2-ch...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(N[C@H]3CCOC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |r|
Show InChI InChI=1S/C29H35ClN6O5/c1-4-25(37)35-11-9-34(10-12-35)7-5-8-36-27-19(17-31-29(33-27)32-20-6-13-41-18-20)14-23(28(36)38)22-15-21(39-2)16-24(40-3)26(22)30/h4,14-17,20H,1,5-13,18H2,2-3H3,(H,31,32,33)/t20-/m0/s1
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n/an/a 1.60n/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))
BDBM287061
PNG
((S)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2-ch...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(N[C@H]3CCOC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |r|
Show InChI InChI=1S/C29H35ClN6O5/c1-4-25(37)35-11-9-34(10-12-35)7-5-8-36-27-19(17-31-29(33-27)32-20-6-13-41-18-20)14-23(28(36)38)22-15-21(39-2)16-24(40-3)26(22)30/h4,14-17,20H,1,5-13,18H2,2-3H3,(H,31,32,33)/t20-/m0/s1
PDB
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UniChem
US Patent
n/an/a 3n/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