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SMILES: COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(CCN(C)C)c1

InChI Key: InChIKey=XONSFWNWGSWCGX-UHFFFAOYSA-N

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 = 350070   
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))
BDBM350070
PNG
(US10208024, Example 69 | US10766881, Example 69)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(CCN(C)C)c1 |(10.83,-.21,;9.5,-.98,;8.16,-.21,;8.16,1.33,;6.83,2.1,;6.83,3.64,;8.16,4.41,;5.5,1.33,;4.16,2.1,;5.5,-.21,;6.83,-.98,;6.83,-2.52,;4.16,-.98,;2.83,-.21,;1.49,-.98,;1.49,-2.52,;2.83,-3.29,;4.16,-2.52,;5.5,-3.29,;.16,-.21,;-1.17,-.98,;-2.51,-.21,;-2.51,1.33,;-1.17,2.1,;.16,1.33,;1.49,2.1,;-3.84,-.98,;-3.84,-2.52,;-5.31,-2.99,;-6.21,-1.75,;-7.75,-1.75,;-8.52,-3.08,;-10.06,-3.08,;-10.83,-4.41,;-10.83,-1.75,;-5.31,-.5,)|
Show InChI InChI=1S/C23H24Cl2N8O3/c1-31(2)7-8-32-12-13(10-28-32)15-11-27-23(26)21(29-15)14-5-6-18(34)33(30-14)22-19(24)16(35-3)9-17(36-4)20(22)25/h5-6,9-12H,7-8H2,1-4H3,(H2,26,27)
PDB
MMDB

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n/an/a 7.20n/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))
BDBM350070
PNG
(US10208024, Example 69 | US10766881, Example 69)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(CCN(C)C)c1 |(10.83,-.21,;9.5,-.98,;8.16,-.21,;8.16,1.33,;6.83,2.1,;6.83,3.64,;8.16,4.41,;5.5,1.33,;4.16,2.1,;5.5,-.21,;6.83,-.98,;6.83,-2.52,;4.16,-.98,;2.83,-.21,;1.49,-.98,;1.49,-2.52,;2.83,-3.29,;4.16,-2.52,;5.5,-3.29,;.16,-.21,;-1.17,-.98,;-2.51,-.21,;-2.51,1.33,;-1.17,2.1,;.16,1.33,;1.49,2.1,;-3.84,-.98,;-3.84,-2.52,;-5.31,-2.99,;-6.21,-1.75,;-7.75,-1.75,;-8.52,-3.08,;-10.06,-3.08,;-10.83,-4.41,;-10.83,-1.75,;-5.31,-.5,)|
Show InChI InChI=1S/C23H24Cl2N8O3/c1-31(2)7-8-32-12-13(10-28-32)15-11-27-23(26)21(29-15)14-5-6-18(34)33(30-14)22-19(24)16(35-3)9-17(36-4)20(22)25/h5-6,9-12H,7-8H2,1-4H3,(H2,26,27)
PDB
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PC sid
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n/an/a 9.60n/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 3 [397-806]


(Homo sapiens (Human))
BDBM350070
PNG
(US10208024, Example 69 | US10766881, Example 69)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(CCN(C)C)c1 |(10.83,-.21,;9.5,-.98,;8.16,-.21,;8.16,1.33,;6.83,2.1,;6.83,3.64,;8.16,4.41,;5.5,1.33,;4.16,2.1,;5.5,-.21,;6.83,-.98,;6.83,-2.52,;4.16,-.98,;2.83,-.21,;1.49,-.98,;1.49,-2.52,;2.83,-3.29,;4.16,-2.52,;5.5,-3.29,;.16,-.21,;-1.17,-.98,;-2.51,-.21,;-2.51,1.33,;-1.17,2.1,;.16,1.33,;1.49,2.1,;-3.84,-.98,;-3.84,-2.52,;-5.31,-2.99,;-6.21,-1.75,;-7.75,-1.75,;-8.52,-3.08,;-10.06,-3.08,;-10.83,-4.41,;-10.83,-1.75,;-5.31,-.5,)|
Show InChI InChI=1S/C23H24Cl2N8O3/c1-31(2)7-8-32-12-13(10-28-32)15-11-27-23(26)21(29-15)14-5-6-18(34)33(30-14)22-19(24)16(35-3)9-17(36-4)20(22)25/h5-6,9-12H,7-8H2,1-4H3,(H2,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.60n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1 [308-731]


(Homo sapiens (Human))
BDBM350070
PNG
(US10208024, Example 69 | US10766881, Example 69)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(CCN(C)C)c1 |(10.83,-.21,;9.5,-.98,;8.16,-.21,;8.16,1.33,;6.83,2.1,;6.83,3.64,;8.16,4.41,;5.5,1.33,;4.16,2.1,;5.5,-.21,;6.83,-.98,;6.83,-2.52,;4.16,-.98,;2.83,-.21,;1.49,-.98,;1.49,-2.52,;2.83,-3.29,;4.16,-2.52,;5.5,-3.29,;.16,-.21,;-1.17,-.98,;-2.51,-.21,;-2.51,1.33,;-1.17,2.1,;.16,1.33,;1.49,2.1,;-3.84,-.98,;-3.84,-2.52,;-5.31,-2.99,;-6.21,-1.75,;-7.75,-1.75,;-8.52,-3.08,;-10.06,-3.08,;-10.83,-4.41,;-10.83,-1.75,;-5.31,-.5,)|
Show InChI InChI=1S/C23H24Cl2N8O3/c1-31(2)7-8-32-12-13(10-28-32)15-11-27-23(26)21(29-15)14-5-6-18(34)33(30-14)22-19(24)16(35-3)9-17(36-4)20(22)25/h5-6,9-12H,7-8H2,1-4H3,(H2,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.20n/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)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350070
PNG
(US10208024, Example 69 | US10766881, Example 69)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(CCN(C)C)c1 |(10.83,-.21,;9.5,-.98,;8.16,-.21,;8.16,1.33,;6.83,2.1,;6.83,3.64,;8.16,4.41,;5.5,1.33,;4.16,2.1,;5.5,-.21,;6.83,-.98,;6.83,-2.52,;4.16,-.98,;2.83,-.21,;1.49,-.98,;1.49,-2.52,;2.83,-3.29,;4.16,-2.52,;5.5,-3.29,;.16,-.21,;-1.17,-.98,;-2.51,-.21,;-2.51,1.33,;-1.17,2.1,;.16,1.33,;1.49,2.1,;-3.84,-.98,;-3.84,-2.52,;-5.31,-2.99,;-6.21,-1.75,;-7.75,-1.75,;-8.52,-3.08,;-10.06,-3.08,;-10.83,-4.41,;-10.83,-1.75,;-5.31,-.5,)|
Show InChI InChI=1S/C23H24Cl2N8O3/c1-31(2)7-8-32-12-13(10-28-32)15-11-27-23(26)21(29-15)14-5-6-18(34)33(30-14)22-19(24)16(35-3)9-17(36-4)20(22)25/h5-6,9-12H,7-8H2,1-4H3,(H2,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.60n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM350070
PNG
(US10208024, Example 69 | US10766881, Example 69)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(CCN(C)C)c1 |(10.83,-.21,;9.5,-.98,;8.16,-.21,;8.16,1.33,;6.83,2.1,;6.83,3.64,;8.16,4.41,;5.5,1.33,;4.16,2.1,;5.5,-.21,;6.83,-.98,;6.83,-2.52,;4.16,-.98,;2.83,-.21,;1.49,-.98,;1.49,-2.52,;2.83,-3.29,;4.16,-2.52,;5.5,-3.29,;.16,-.21,;-1.17,-.98,;-2.51,-.21,;-2.51,1.33,;-1.17,2.1,;.16,1.33,;1.49,2.1,;-3.84,-.98,;-3.84,-2.52,;-5.31,-2.99,;-6.21,-1.75,;-7.75,-1.75,;-8.52,-3.08,;-10.06,-3.08,;-10.83,-4.41,;-10.83,-1.75,;-5.31,-.5,)|
Show InChI InChI=1S/C23H24Cl2N8O3/c1-31(2)7-8-32-12-13(10-28-32)15-11-27-23(26)21(29-15)14-5-6-18(34)33(30-14)22-19(24)16(35-3)9-17(36-4)20(22)25/h5-6,9-12H,7-8H2,1-4H3,(H2,26,27)
PDB
MMDB

Reactome pathway
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PC cid
PC sid
UniChem
US Patent
n/an/a 9.60n/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