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BDBM249343 US10300060, Example 21-37::US10765676, Example 21-37::US9463192, 21-37::US9763943, 21-37::US9993479, 21-37

SMILES: CN(C)c1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1

InChI Key: InChIKey=SWDIRMSGSBDKCB-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 249343   
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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM249343
PNG
(US10300060, Example 21-37 | US10765676, Example 21...)
Show SMILES CN(C)c1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1
Show InChI InChI=1S/C31H24F3N9O2/c1-42(2)27-11-13-43-28(41-27)25(18-38-43)19-5-8-23(9-6-19)45-30-36-16-22(17-37-30)39-29(44)40-26-14-21(31(32,33)34)7-10-24(26)20-4-3-12-35-15-20/h3-18H,1-2H3,(H2,39,40,44)
PDB
MMDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/a37



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...


US Patent US9463192 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14FR
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM249343
PNG
(US10300060, Example 21-37 | US10765676, Example 21...)
Show SMILES CN(C)c1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1
Show InChI InChI=1S/C31H24F3N9O2/c1-42(2)27-11-13-43-28(41-27)25(18-38-43)19-5-8-23(9-6-19)45-30-36-16-22(17-37-30)39-29(44)40-26-14-21(31(32,33)34)7-10-24(26)20-4-3-12-35-15-20/h3-18H,1-2H3,(H2,39,40,44)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...


US Patent US9763943 (2017)


BindingDB Entry DOI: 10.7270/Q2ZW1P0X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM249343
PNG
(US10300060, Example 21-37 | US10765676, Example 21...)
Show SMILES CN(C)c1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1
Show InChI InChI=1S/C31H24F3N9O2/c1-42(2)27-11-13-43-28(41-27)25(18-38-43)19-5-8-23(9-6-19)45-30-36-16-22(17-37-30)39-29(44)40-26-14-21(31(32,33)34)7-10-24(26)20-4-3-12-35-15-20/h3-18H,1-2H3,(H2,39,40,44)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...


US Patent US10765676 (2020)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM249343
PNG
(US10300060, Example 21-37 | US10765676, Example 21...)
Show SMILES CN(C)c1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1
Show InChI InChI=1S/C31H24F3N9O2/c1-42(2)27-11-13-43-28(41-27)25(18-38-43)19-5-8-23(9-6-19)45-30-36-16-22(17-37-30)39-29(44)40-26-14-21(31(32,33)34)7-10-24(26)20-4-3-12-35-15-20/h3-18H,1-2H3,(H2,39,40,44)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
On the day before the assay, CellSenser™ TrkA-NFAT-b1a CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) co...


Bioorg Med Chem Lett 19: 1654-7 (2009)


BindingDB Entry DOI: 10.7270/Q2JH3PGF
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM249343
PNG
(US10300060, Example 21-37 | US10765676, Example 21...)
Show SMILES CN(C)c1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1
Show InChI InChI=1S/C31H24F3N9O2/c1-42(2)27-11-13-43-28(41-27)25(18-38-43)19-5-8-23(9-6-19)45-30-36-16-22(17-37-30)39-29(44)40-26-14-21(31(32,33)34)7-10-24(26)20-4-3-12-35-15-20/h3-18H,1-2H3,(H2,39,40,44)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.



Assay Description
TrkA kinase-inhibiting activity in cell systems was measured using CHO-K1 cells expressing human TrkA and NFAT-bla (CellSenser TrkA-NFAT-bla CHO-K1 c...


Bioorg Med Chem 17: 2017-29 (2009)


BindingDB Entry DOI: 10.7270/Q2WD42WT
More data for this
Ligand-Target Pair