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BDBM350083 US10208024, Example 82::US10766881, Example 82

SMILES: COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1ccc(=O)n(n1)-c1c(F)c(OC)cc(OC)c1F

InChI Key: InChIKey=IGZKSXILFWECCS-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 350083   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM350083
PNG
(US10208024, Example 82 | US10766881, Example 82)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1ccc(=O)n(n1)-c1c(F)c(OC)cc(OC)c1F |(-13.14,-4.41,;-12.37,-3.08,;-10.83,-3.08,;-10.06,-1.75,;-8.52,-1.75,;-7.75,-.41,;-6.21,-.41,;-5.44,-1.75,;-6.21,-3.08,;-7.75,-3.08,;-3.9,-1.75,;-3,-.5,;-1.53,-.98,;-1.53,-2.52,;-3,-2.99,;-.2,-.21,;-.2,1.33,;1.14,2.1,;2.47,1.33,;3.8,2.1,;2.47,-.21,;1.14,-.98,;3.8,-.98,;3.8,-2.52,;5.14,-3.29,;6.47,-2.52,;7.81,-3.29,;6.47,-.98,;5.14,-.21,;7.81,-.21,;9.14,-.98,;9.14,-2.52,;10.47,-.21,;11.81,-.98,;13.14,-.21,;10.47,1.33,;9.14,2.1,;9.14,3.64,;10.47,4.41,;7.81,1.33,;6.47,2.1,)|
Show InChI InChI=1S/C27H30F2N8O4/c1-39-11-10-35-8-6-17(7-9-35)36-15-16(13-32-36)19-14-31-27(30)25(33-19)18-4-5-22(38)37(34-18)26-23(28)20(40-2)12-21(41-3)24(26)29/h4-5,12-15,17H,6-11H2,1-3H3,(H2,30,31)
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n/an/a 2.40n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


Assay Description
FGFR1, 2 and 3 kinase activity was measured by the Invitrogen LanthaScreen™ Assay technology which directly measures the amount of substrate phosphor...


US Patent US10208024 (2019)


BindingDB Entry DOI: 10.7270/Q2CJ8GNW
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM350083
PNG
(US10208024, Example 82 | US10766881, Example 82)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1ccc(=O)n(n1)-c1c(F)c(OC)cc(OC)c1F |(-13.14,-4.41,;-12.37,-3.08,;-10.83,-3.08,;-10.06,-1.75,;-8.52,-1.75,;-7.75,-.41,;-6.21,-.41,;-5.44,-1.75,;-6.21,-3.08,;-7.75,-3.08,;-3.9,-1.75,;-3,-.5,;-1.53,-.98,;-1.53,-2.52,;-3,-2.99,;-.2,-.21,;-.2,1.33,;1.14,2.1,;2.47,1.33,;3.8,2.1,;2.47,-.21,;1.14,-.98,;3.8,-.98,;3.8,-2.52,;5.14,-3.29,;6.47,-2.52,;7.81,-3.29,;6.47,-.98,;5.14,-.21,;7.81,-.21,;9.14,-.98,;9.14,-2.52,;10.47,-.21,;11.81,-.98,;13.14,-.21,;10.47,1.33,;9.14,2.1,;9.14,3.64,;10.47,4.41,;7.81,1.33,;6.47,2.1,)|
Show InChI InChI=1S/C27H30F2N8O4/c1-39-11-10-35-8-6-17(7-9-35)36-15-16(13-32-36)19-14-31-27(30)25(33-19)18-4-5-22(38)37(34-18)26-23(28)20(40-2)12-21(41-3)24(26)29/h4-5,12-15,17H,6-11H2,1-3H3,(H2,30,31)
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Array BioPharma Inc.

US Patent


Assay Description
FGFR1, 2 and 3 kinase activity was measured by the Invitrogen LanthaScreen™ Assay technology which directly measures the amount of substrate phosphor...


US Patent US10208024 (2019)


BindingDB Entry DOI: 10.7270/Q2CJ8GNW
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3 (FGFR3) (R397-T806)


(Homo sapiens (Human))
BDBM350083
PNG
(US10208024, Example 82 | US10766881, Example 82)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1ccc(=O)n(n1)-c1c(F)c(OC)cc(OC)c1F |(-13.14,-4.41,;-12.37,-3.08,;-10.83,-3.08,;-10.06,-1.75,;-8.52,-1.75,;-7.75,-.41,;-6.21,-.41,;-5.44,-1.75,;-6.21,-3.08,;-7.75,-3.08,;-3.9,-1.75,;-3,-.5,;-1.53,-.98,;-1.53,-2.52,;-3,-2.99,;-.2,-.21,;-.2,1.33,;1.14,2.1,;2.47,1.33,;3.8,2.1,;2.47,-.21,;1.14,-.98,;3.8,-.98,;3.8,-2.52,;5.14,-3.29,;6.47,-2.52,;7.81,-3.29,;6.47,-.98,;5.14,-.21,;7.81,-.21,;9.14,-.98,;9.14,-2.52,;10.47,-.21,;11.81,-.98,;13.14,-.21,;10.47,1.33,;9.14,2.1,;9.14,3.64,;10.47,4.41,;7.81,1.33,;6.47,2.1,)|
Show InChI InChI=1S/C27H30F2N8O4/c1-39-11-10-35-8-6-17(7-9-35)36-15-16(13-32-36)19-14-31-27(30)25(33-19)18-4-5-22(38)37(34-18)26-23(28)20(40-2)12-21(41-3)24(26)29/h4-5,12-15,17H,6-11H2,1-3H3,(H2,30,31)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1 (FGFR1)(aa 308-731)


(Homo sapiens (Human))
BDBM350083
PNG
(US10208024, Example 82 | US10766881, Example 82)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1ccc(=O)n(n1)-c1c(F)c(OC)cc(OC)c1F |(-13.14,-4.41,;-12.37,-3.08,;-10.83,-3.08,;-10.06,-1.75,;-8.52,-1.75,;-7.75,-.41,;-6.21,-.41,;-5.44,-1.75,;-6.21,-3.08,;-7.75,-3.08,;-3.9,-1.75,;-3,-.5,;-1.53,-.98,;-1.53,-2.52,;-3,-2.99,;-.2,-.21,;-.2,1.33,;1.14,2.1,;2.47,1.33,;3.8,2.1,;2.47,-.21,;1.14,-.98,;3.8,-.98,;3.8,-2.52,;5.14,-3.29,;6.47,-2.52,;7.81,-3.29,;6.47,-.98,;5.14,-.21,;7.81,-.21,;9.14,-.98,;9.14,-2.52,;10.47,-.21,;11.81,-.98,;13.14,-.21,;10.47,1.33,;9.14,2.1,;9.14,3.64,;10.47,4.41,;7.81,1.33,;6.47,2.1,)|
Show InChI InChI=1S/C27H30F2N8O4/c1-39-11-10-35-8-6-17(7-9-35)36-15-16(13-32-36)19-14-31-27(30)25(33-19)18-4-5-22(38)37(34-18)26-23(28)20(40-2)12-21(41-3)24(26)29/h4-5,12-15,17H,6-11H2,1-3H3,(H2,30,31)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent


Assay Description
To measure FGFR1 kinase activity, 200 pM His-tagged recombinant human FGFR1 catalytic domain (amino acids 308-731) (Life Technologies Cat. No. PR4660...


US Patent US10766881 (2020)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 (FGFR2)(403-822)


(Homo sapiens (Human))
BDBM350083
PNG
(US10208024, Example 82 | US10766881, Example 82)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1ccc(=O)n(n1)-c1c(F)c(OC)cc(OC)c1F |(-13.14,-4.41,;-12.37,-3.08,;-10.83,-3.08,;-10.06,-1.75,;-8.52,-1.75,;-7.75,-.41,;-6.21,-.41,;-5.44,-1.75,;-6.21,-3.08,;-7.75,-3.08,;-3.9,-1.75,;-3,-.5,;-1.53,-.98,;-1.53,-2.52,;-3,-2.99,;-.2,-.21,;-.2,1.33,;1.14,2.1,;2.47,1.33,;3.8,2.1,;2.47,-.21,;1.14,-.98,;3.8,-.98,;3.8,-2.52,;5.14,-3.29,;6.47,-2.52,;7.81,-3.29,;6.47,-.98,;5.14,-.21,;7.81,-.21,;9.14,-.98,;9.14,-2.52,;10.47,-.21,;11.81,-.98,;13.14,-.21,;10.47,1.33,;9.14,2.1,;9.14,3.64,;10.47,4.41,;7.81,1.33,;6.47,2.1,)|
Show InChI InChI=1S/C27H30F2N8O4/c1-39-11-10-35-8-6-17(7-9-35)36-15-16(13-32-36)19-14-31-27(30)25(33-19)18-4-5-22(38)37(34-18)26-23(28)20(40-2)12-21(41-3)24(26)29/h4-5,12-15,17H,6-11H2,1-3H3,(H2,30,31)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM350083
PNG
(US10208024, Example 82 | US10766881, Example 82)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1ccc(=O)n(n1)-c1c(F)c(OC)cc(OC)c1F |(-13.14,-4.41,;-12.37,-3.08,;-10.83,-3.08,;-10.06,-1.75,;-8.52,-1.75,;-7.75,-.41,;-6.21,-.41,;-5.44,-1.75,;-6.21,-3.08,;-7.75,-3.08,;-3.9,-1.75,;-3,-.5,;-1.53,-.98,;-1.53,-2.52,;-3,-2.99,;-.2,-.21,;-.2,1.33,;1.14,2.1,;2.47,1.33,;3.8,2.1,;2.47,-.21,;1.14,-.98,;3.8,-.98,;3.8,-2.52,;5.14,-3.29,;6.47,-2.52,;7.81,-3.29,;6.47,-.98,;5.14,-.21,;7.81,-.21,;9.14,-.98,;9.14,-2.52,;10.47,-.21,;11.81,-.98,;13.14,-.21,;10.47,1.33,;9.14,2.1,;9.14,3.64,;10.47,4.41,;7.81,1.33,;6.47,2.1,)|
Show InChI InChI=1S/C27H30F2N8O4/c1-39-11-10-35-8-6-17(7-9-35)36-15-16(13-32-36)19-14-31-27(30)25(33-19)18-4-5-22(38)37(34-18)26-23(28)20(40-2)12-21(41-3)24(26)29/h4-5,12-15,17H,6-11H2,1-3H3,(H2,30,31)
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Array BioPharma Inc.

US Patent


Assay Description
FGFR1, 2 and 3 kinase activity was measured by the Invitrogen LanthaScreen™ Assay technology which directly measures the amount of substrate phosphor...


US Patent US10208024 (2019)


BindingDB Entry DOI: 10.7270/Q2CJ8GNW
More data for this
Ligand-Target Pair