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BDBM249352 US10300060, Example 23-7::US10765676, Example 23-7::US9463192, 23-7::US9763943, 23-7::US9993479, 23-7

SMILES: FC(F)(F)c1ccc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc4[nH]ccc4c3)nc2)c1)-c1cccnc1

InChI Key: InChIKey=DVMMNZKIWHSVNM-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 = 249352   
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))
BDBM249352
PNG
(US10300060, Example 23-7 | US10765676, Example 23-...)
Show SMILES FC(F)(F)c1ccc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc4[nH]ccc4c3)nc2)c1)-c1cccnc1
Show InChI InChI=1S/C30H20F3N7O2/c31-30(32,33)22-5-8-25(20-2-1-10-34-14-20)26(13-22)40-28(41)39-23-16-37-29(38-17-23)42-24-6-3-18(4-7-24)21-12-19-9-11-35-27(19)36-15-21/h1-17H,(H,35,36)(H2,39,40,41)
PDB
MMDB

UniProtKB/SwissProt

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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))
BDBM249352
PNG
(US10300060, Example 23-7 | US10765676, Example 23-...)
Show SMILES FC(F)(F)c1ccc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc4[nH]ccc4c3)nc2)c1)-c1cccnc1
Show InChI InChI=1S/C30H20F3N7O2/c31-30(32,33)22-5-8-25(20-2-1-10-34-14-20)26(13-22)40-28(41)39-23-16-37-29(38-17-23)42-24-6-3-18(4-7-24)21-12-19-9-11-35-27(19)36-15-21/h1-17H,(H,35,36)(H2,39,40,41)
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))
BDBM249352
PNG
(US10300060, Example 23-7 | US10765676, Example 23-...)
Show SMILES FC(F)(F)c1ccc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc4[nH]ccc4c3)nc2)c1)-c1cccnc1
Show InChI InChI=1S/C30H20F3N7O2/c31-30(32,33)22-5-8-25(20-2-1-10-34-14-20)26(13-22)40-28(41)39-23-16-37-29(38-17-23)42-24-6-3-18(4-7-24)21-12-19-9-11-35-27(19)36-15-21/h1-17H,(H,35,36)(H2,39,40,41)
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



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))
BDBM249352
PNG
(US10300060, Example 23-7 | US10765676, Example 23-...)
Show SMILES FC(F)(F)c1ccc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc4[nH]ccc4c3)nc2)c1)-c1cccnc1
Show InChI InChI=1S/C30H20F3N7O2/c31-30(32,33)22-5-8-25(20-2-1-10-34-14-20)26(13-22)40-28(41)39-23-16-37-29(38-17-23)42-24-6-3-18(4-7-24)21-12-19-9-11-35-27(19)36-15-21/h1-17H,(H,35,36)(H2,39,40,41)
PDB
MMDB

UniProtKB/SwissProt

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antibodypedia
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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))
BDBM249352
PNG
(US10300060, Example 23-7 | US10765676, Example 23-...)
Show SMILES FC(F)(F)c1ccc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc4[nH]ccc4c3)nc2)c1)-c1cccnc1
Show InChI InChI=1S/C30H20F3N7O2/c31-30(32,33)22-5-8-25(20-2-1-10-34-14-20)26(13-22)40-28(41)39-23-16-37-29(38-17-23)42-24-6-3-18(4-7-24)21-12-19-9-11-35-27(19)36-15-21/h1-17H,(H,35,36)(H2,39,40,41)
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