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BDBM249330 US10300060, Example 15-58::US10765676, Example 15-58::US9463192, 15-58::US9763943, 15-58::US9993479, 15-58

SMILES: Nc1ncc(F)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-c3ccccc3)C(F)(F)F)cn2)cc1

InChI Key: InChIKey=FVWIYWKWDMNSTL-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 = 249330   
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))
BDBM249330
PNG
(US10300060, Example 15-58 | US10765676, Example 15...)
Show SMILES Nc1ncc(F)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-c3ccccc3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C29H20F4N6O2/c30-20-13-24(26(34)35-14-20)18-6-9-22(10-7-18)41-28-36-15-21(16-37-28)38-27(40)39-25-12-19(29(31,32)33)8-11-23(25)17-4-2-1-3-5-17/h1-16H,(H2,34,35)(H2,38,39,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM249330
PNG
(US10300060, Example 15-58 | US10765676, Example 15...)
Show SMILES Nc1ncc(F)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-c3ccccc3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C29H20F4N6O2/c30-20-13-24(26(34)35-14-20)18-6-9-22(10-7-18)41-28-36-15-21(16-37-28)38-27(40)39-25-12-19(29(31,32)33)8-11-23(25)17-4-2-1-3-5-17/h1-16H,(H2,34,35)(H2,38,39,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM249330
PNG
(US10300060, Example 15-58 | US10765676, Example 15...)
Show SMILES Nc1ncc(F)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-c3ccccc3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C29H20F4N6O2/c30-20-13-24(26(34)35-14-20)18-6-9-22(10-7-18)41-28-36-15-21(16-37-28)38-27(40)39-25-12-19(29(31,32)33)8-11-23(25)17-4-2-1-3-5-17/h1-16H,(H2,34,35)(H2,38,39,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM249330
PNG
(US10300060, Example 15-58 | US10765676, Example 15...)
Show SMILES Nc1ncc(F)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-c3ccccc3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C29H20F4N6O2/c30-20-13-24(26(34)35-14-20)18-6-9-22(10-7-18)41-28-36-15-21(16-37-28)38-27(40)39-25-12-19(29(31,32)33)8-11-23(25)17-4-2-1-3-5-17/h1-16H,(H2,34,35)(H2,38,39,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM249330
PNG
(US10300060, Example 15-58 | US10765676, Example 15...)
Show SMILES Nc1ncc(F)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-c3ccccc3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C29H20F4N6O2/c30-20-13-24(26(34)35-14-20)18-6-9-22(10-7-18)41-28-36-15-21(16-37-28)38-27(40)39-25-12-19(29(31,32)33)8-11-23(25)17-4-2-1-3-5-17/h1-16H,(H2,34,35)(H2,38,39,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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