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SMILES: Nc1ncc(Cl)cc1-c1ccc(Oc2ncc(NC(=O)Nc3ccc(cc3-n3cccn3)C(F)(F)F)cn2)cc1

InChI Key: InChIKey=DZUYLXXBVLCLIN-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 5 hits for monomerid = 249325   
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))
BDBM249325
PNG
(US10300060, Example 15-4 | US10765676, Example 15-...)
Show SMILES Nc1ncc(Cl)cc1-c1ccc(Oc2ncc(NC(=O)Nc3ccc(cc3-n3cccn3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C26H18ClF3N8O2/c27-17-11-20(23(31)32-12-17)15-2-5-19(6-3-15)40-25-33-13-18(14-34-25)36-24(39)37-21-7-4-16(26(28,29)30)10-22(21)38-9-1-8-35-38/h1-14H,(H2,31,32)(H2,36,37,39)
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/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))
BDBM249325
PNG
(US10300060, Example 15-4 | US10765676, Example 15-...)
Show SMILES Nc1ncc(Cl)cc1-c1ccc(Oc2ncc(NC(=O)Nc3ccc(cc3-n3cccn3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C26H18ClF3N8O2/c27-17-11-20(23(31)32-12-17)15-2-5-19(6-3-15)40-25-33-13-18(14-34-25)36-24(39)37-21-7-4-16(26(28,29)30)10-22(21)38-9-1-8-35-38/h1-14H,(H2,31,32)(H2,36,37,39)
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



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))
BDBM249325
PNG
(US10300060, Example 15-4 | US10765676, Example 15-...)
Show SMILES Nc1ncc(Cl)cc1-c1ccc(Oc2ncc(NC(=O)Nc3ccc(cc3-n3cccn3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C26H18ClF3N8O2/c27-17-11-20(23(31)32-12-17)15-2-5-19(6-3-15)40-25-33-13-18(14-34-25)36-24(39)37-21-7-4-16(26(28,29)30)10-22(21)38-9-1-8-35-38/h1-14H,(H2,31,32)(H2,36,37,39)
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



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))
BDBM249325
PNG
(US10300060, Example 15-4 | US10765676, Example 15-...)
Show SMILES Nc1ncc(Cl)cc1-c1ccc(Oc2ncc(NC(=O)Nc3ccc(cc3-n3cccn3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C26H18ClF3N8O2/c27-17-11-20(23(31)32-12-17)15-2-5-19(6-3-15)40-25-33-13-18(14-34-25)36-24(39)37-21-7-4-16(26(28,29)30)10-22(21)38-9-1-8-35-38/h1-14H,(H2,31,32)(H2,36,37,39)
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



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))
BDBM249325
PNG
(US10300060, Example 15-4 | US10765676, Example 15-...)
Show SMILES Nc1ncc(Cl)cc1-c1ccc(Oc2ncc(NC(=O)Nc3ccc(cc3-n3cccn3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C26H18ClF3N8O2/c27-17-11-20(23(31)32-12-17)15-2-5-19(6-3-15)40-25-33-13-18(14-34-25)36-24(39)37-21-7-4-16(26(28,29)30)10-22(21)38-9-1-8-35-38/h1-14H,(H2,31,32)(H2,36,37,39)
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