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BDBM356128 US9815846, Compound 128

SMILES: Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CCC(N)=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F

InChI Key: InChIKey=GNPUNNKJDPIRJO-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 356128   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356128
PNG
(US9815846, Compound 128)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CCC(N)=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C25H20F4N6O2/c1-35-10-9-19(34-35)15-11-16(18(26)12-17(15)25(27,28)29)24(37)32-20-13-31-22(8-7-21(30)36)33-23(20)14-5-3-2-4-6-14/h2-6,9-13H,7-8H2,1H3,(H2,30,36)(H,32,37)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.540n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair