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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 1' and Ligand = 'BDBM6190'   
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))
BDBM6190
PNG
(3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
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n/an/a 22n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6190
PNG
(3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
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n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112990
BindingDB Entry DOI: 10.7270/Q2WD44HQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6190
PNG
(3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
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n/an/a 22n/an/an/an/an/an/a



The First Affiliated Hospital of Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human FGFR1 expressed in baculovirus infected insect cells in presence of [gamma-32P]ATP after 10 mins by scint...


Eur J Med Chem 126: 476-490 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.052
BindingDB Entry DOI: 10.7270/Q2445PQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6190
PNG
(3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
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n/an/a 22n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of full length human FGFR1 expressed in baculovirus system using poly (Glu,Tyr)4:1 as substrate incubated for 10 mins in presence of [gamm...


ACS Med Chem Lett 7: 629-34 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00066
BindingDB Entry DOI: 10.7270/Q2P272M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6190
PNG
(3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
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n/an/a 22n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of full length human FGFR1 expressed in baculovirus system using poly (Glu,Tyr)4:1 as substrate incubated for 10 mins in presence of [gamm...


ACS Med Chem Lett 7: 629-34 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00066
BindingDB Entry DOI: 10.7270/Q2P272M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6190
PNG
(3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
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n/an/a 28n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6190
PNG
(3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
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n/an/a 30n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6190
PNG
(3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
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n/an/an/an/a 21n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 by cellular assay


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)