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BDBM350059 US10208024, Example 58::US10766881, Example 58

SMILES: COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1

InChI Key: InChIKey=KFKYFVCBOAGDTP-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 = 350059   
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))
BDBM350059
PNG
(US10208024, Example 58 | US10766881, Example 58)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 |(6.08,3.85,;7.42,3.08,;7.42,1.54,;8.75,.77,;8.75,-.77,;10.08,-1.54,;10.08,-3.08,;7.42,-1.54,;7.42,-3.08,;6.08,-.77,;6.08,.77,;4.75,1.54,;4.75,-1.54,;3.42,-.77,;2.08,-1.54,;2.08,-3.08,;3.42,-3.85,;4.75,-3.08,;6.08,-3.85,;.75,-.77,;-.58,-1.54,;-1.92,-.77,;-1.92,.77,;-.58,1.54,;.75,.77,;2.08,1.54,;-3.25,-1.54,;-3.25,-3.08,;-4.72,-3.56,;-5.62,-2.31,;-4.72,-1.06,;-7.11,-1.91,;-7.51,-.42,;-9,-.03,;-10.08,-1.11,;-9.69,-2.6,;-8.2,-3,)|
Show InChI InChI=1S/C25H25Cl2N7O3/c1-36-19-10-20(37-2)23(27)24(22(19)26)34-21(35)4-3-18(32-34)17-9-14(11-30-25(17)28)15-12-31-33(13-15)16-5-7-29-8-6-16/h3-4,9-13,16,29H,5-8H2,1-2H3,(H2,28,30)
PDB
MMDB

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PC sid
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US Patent
n/an/a 4.40n/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))
BDBM350059
PNG
(US10208024, Example 58 | US10766881, Example 58)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 |(6.08,3.85,;7.42,3.08,;7.42,1.54,;8.75,.77,;8.75,-.77,;10.08,-1.54,;10.08,-3.08,;7.42,-1.54,;7.42,-3.08,;6.08,-.77,;6.08,.77,;4.75,1.54,;4.75,-1.54,;3.42,-.77,;2.08,-1.54,;2.08,-3.08,;3.42,-3.85,;4.75,-3.08,;6.08,-3.85,;.75,-.77,;-.58,-1.54,;-1.92,-.77,;-1.92,.77,;-.58,1.54,;.75,.77,;2.08,1.54,;-3.25,-1.54,;-3.25,-3.08,;-4.72,-3.56,;-5.62,-2.31,;-4.72,-1.06,;-7.11,-1.91,;-7.51,-.42,;-9,-.03,;-10.08,-1.11,;-9.69,-2.6,;-8.2,-3,)|
Show InChI InChI=1S/C25H25Cl2N7O3/c1-36-19-10-20(37-2)23(27)24(22(19)26)34-21(35)4-3-18(32-34)17-9-14(11-30-25(17)28)15-12-31-33(13-15)16-5-7-29-8-6-16/h3-4,9-13,16,29H,5-8H2,1-2H3,(H2,28,30)
PDB
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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 3 (FGFR3) (R397-T806)


(Homo sapiens (Human))
BDBM350059
PNG
(US10208024, Example 58 | US10766881, Example 58)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 |(6.08,3.85,;7.42,3.08,;7.42,1.54,;8.75,.77,;8.75,-.77,;10.08,-1.54,;10.08,-3.08,;7.42,-1.54,;7.42,-3.08,;6.08,-.77,;6.08,.77,;4.75,1.54,;4.75,-1.54,;3.42,-.77,;2.08,-1.54,;2.08,-3.08,;3.42,-3.85,;4.75,-3.08,;6.08,-3.85,;.75,-.77,;-.58,-1.54,;-1.92,-.77,;-1.92,.77,;-.58,1.54,;.75,.77,;2.08,1.54,;-3.25,-1.54,;-3.25,-3.08,;-4.72,-3.56,;-5.62,-2.31,;-4.72,-1.06,;-7.11,-1.91,;-7.51,-.42,;-9,-.03,;-10.08,-1.11,;-9.69,-2.6,;-8.2,-3,)|
Show InChI InChI=1S/C25H25Cl2N7O3/c1-36-19-10-20(37-2)23(27)24(22(19)26)34-21(35)4-3-18(32-34)17-9-14(11-30-25(17)28)15-12-31-33(13-15)16-5-7-29-8-6-16/h3-4,9-13,16,29H,5-8H2,1-2H3,(H2,28,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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))
BDBM350059
PNG
(US10208024, Example 58 | US10766881, Example 58)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 |(6.08,3.85,;7.42,3.08,;7.42,1.54,;8.75,.77,;8.75,-.77,;10.08,-1.54,;10.08,-3.08,;7.42,-1.54,;7.42,-3.08,;6.08,-.77,;6.08,.77,;4.75,1.54,;4.75,-1.54,;3.42,-.77,;2.08,-1.54,;2.08,-3.08,;3.42,-3.85,;4.75,-3.08,;6.08,-3.85,;.75,-.77,;-.58,-1.54,;-1.92,-.77,;-1.92,.77,;-.58,1.54,;.75,.77,;2.08,1.54,;-3.25,-1.54,;-3.25,-3.08,;-4.72,-3.56,;-5.62,-2.31,;-4.72,-1.06,;-7.11,-1.91,;-7.51,-.42,;-9,-.03,;-10.08,-1.11,;-9.69,-2.6,;-8.2,-3,)|
Show InChI InChI=1S/C25H25Cl2N7O3/c1-36-19-10-20(37-2)23(27)24(22(19)26)34-21(35)4-3-18(32-34)17-9-14(11-30-25(17)28)15-12-31-33(13-15)16-5-7-29-8-6-16/h3-4,9-13,16,29H,5-8H2,1-2H3,(H2,28,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.40n/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))
BDBM350059
PNG
(US10208024, Example 58 | US10766881, Example 58)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 |(6.08,3.85,;7.42,3.08,;7.42,1.54,;8.75,.77,;8.75,-.77,;10.08,-1.54,;10.08,-3.08,;7.42,-1.54,;7.42,-3.08,;6.08,-.77,;6.08,.77,;4.75,1.54,;4.75,-1.54,;3.42,-.77,;2.08,-1.54,;2.08,-3.08,;3.42,-3.85,;4.75,-3.08,;6.08,-3.85,;.75,-.77,;-.58,-1.54,;-1.92,-.77,;-1.92,.77,;-.58,1.54,;.75,.77,;2.08,1.54,;-3.25,-1.54,;-3.25,-3.08,;-4.72,-3.56,;-5.62,-2.31,;-4.72,-1.06,;-7.11,-1.91,;-7.51,-.42,;-9,-.03,;-10.08,-1.11,;-9.69,-2.6,;-8.2,-3,)|
Show InChI InChI=1S/C25H25Cl2N7O3/c1-36-19-10-20(37-2)23(27)24(22(19)26)34-21(35)4-3-18(32-34)17-9-14(11-30-25(17)28)15-12-31-33(13-15)16-5-7-29-8-6-16/h3-4,9-13,16,29H,5-8H2,1-2H3,(H2,28,30)
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




US Patent US10766881 (2020)

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


(Homo sapiens (Human))
BDBM350059
PNG
(US10208024, Example 58 | US10766881, Example 58)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 |(6.08,3.85,;7.42,3.08,;7.42,1.54,;8.75,.77,;8.75,-.77,;10.08,-1.54,;10.08,-3.08,;7.42,-1.54,;7.42,-3.08,;6.08,-.77,;6.08,.77,;4.75,1.54,;4.75,-1.54,;3.42,-.77,;2.08,-1.54,;2.08,-3.08,;3.42,-3.85,;4.75,-3.08,;6.08,-3.85,;.75,-.77,;-.58,-1.54,;-1.92,-.77,;-1.92,.77,;-.58,1.54,;.75,.77,;2.08,1.54,;-3.25,-1.54,;-3.25,-3.08,;-4.72,-3.56,;-5.62,-2.31,;-4.72,-1.06,;-7.11,-1.91,;-7.51,-.42,;-9,-.03,;-10.08,-1.11,;-9.69,-2.6,;-8.2,-3,)|
Show InChI InChI=1S/C25H25Cl2N7O3/c1-36-19-10-20(37-2)23(27)24(22(19)26)34-21(35)4-3-18(32-34)17-9-14(11-30-25(17)28)15-12-31-33(13-15)16-5-7-29-8-6-16/h3-4,9-13,16,29H,5-8H2,1-2H3,(H2,28,30)
PDB
MMDB

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PC cid
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UniChem
US Patent
n/an/a 0.700n/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