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SMILES: Cc1ccccc1-n1nc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cnc(s2)N2CCCC2=O)nc1)C(C)(F)F

InChI Key: InChIKey=XWLGFOFXYSCKFD-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 = 204844   
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))
BDBM204844
PNG
(US9242977, 72-3)
Show SMILES Cc1ccccc1-n1nc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cnc(s2)N2CCCC2=O)nc1)C(C)(F)F
Show InChI InChI=1S/C30H26F2N8O3S/c1-18-6-3-4-7-22(18)40-25(14-24(38-40)30(2,31)32)37-27(42)36-20-15-33-28(34-16-20)43-21-11-9-19(10-12-21)23-17-35-29(44-23)39-13-5-8-26(39)41/h3-4,6-7,9-12,14-17H,5,8,13H2,1-2H3,(H2,36,37,42)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/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))
BDBM204844
PNG
(US9242977, 72-3)
Show SMILES Cc1ccccc1-n1nc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cnc(s2)N2CCCC2=O)nc1)C(C)(F)F
Show InChI InChI=1S/C30H26F2N8O3S/c1-18-6-3-4-7-22(18)40-25(14-24(38-40)30(2,31)32)37-27(42)36-20-15-33-28(34-16-20)43-21-11-9-19(10-12-21)23-17-35-29(44-23)39-13-5-8-26(39)41/h3-4,6-7,9-12,14-17H,5,8,13H2,1-2H3,(H2,36,37,42)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/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