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SMILES: CCNc1ncc(s1)-c1ccc(Oc2ncc(NC(=O)Nc3cc(cnc3-c3ccc(C)cc3)C(F)(F)F)cn2)cc1

InChI Key: InChIKey=UFEAYYJBORUWKT-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 2 hits for monomerid = 204830   
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
Isoform TrkA-I of High affinity nerve growth factor receptor (TrkAI)


(Homo sapiens (Human))
BDBM204830
PNG
(US9242977, 23)
Show SMILES CCNc1ncc(s1)-c1ccc(Oc2ncc(NC(=O)Nc3cc(cnc3-c3ccc(C)cc3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C29H24F3N7O2S/c1-3-33-28-37-16-24(42-28)18-8-10-22(11-9-18)41-27-35-14-21(15-36-27)38-26(40)39-23-12-20(29(30,31)32)13-34-25(23)19-6-4-17(2)5-7-19/h4-16H,3H2,1-2H3,(H,33,37)(H2,38,39,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


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...


US Patent US9242977 (2016)


BindingDB Entry DOI: 10.7270/Q2639NJZ
More data for this
Ligand-Target Pair
Isoform TrkA-I of High affinity nerve growth factor receptor (TrkAI)


(Homo sapiens (Human))
BDBM204830
PNG
(US9242977, 23)
Show SMILES CCNc1ncc(s1)-c1ccc(Oc2ncc(NC(=O)Nc3cc(cnc3-c3ccc(C)cc3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C29H24F3N7O2S/c1-3-33-28-37-16-24(42-28)18-8-10-22(11-9-18)41-27-35-14-21(15-36-27)38-26(40)39-23-12-20(29(30,31)32)13-34-25(23)19-6-4-17(2)5-7-19/h4-16H,3H2,1-2H3,(H,33,37)(H2,38,39,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/a7.5n/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
TrkA-inhibiting activity was measured according to the following method using LanthaScreen kinase assay reagents (Invitrogen; Fluorescein-Poly GT, La...


US Patent US9242977 (2016)


BindingDB Entry DOI: 10.7270/Q2639NJZ
More data for this
Ligand-Target Pair