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BDBM376117 2-fluoro-N-(1-(4- fluorophenyl)-3-((5-oxo-4,5- dihydro-1,3,4-oxadiazol-2- yl)methyl)-1H-pyrazol-5-yl)- 5-(pyrimidin-2-yl)-4- (trifluoromethyl)benzamide::US9914736, Compound 113

SMILES: Fc1ccc(cc1)-n1nc(Cc2n[nH]c(=O)o2)cc1NC(=O)c1cc(-c2ncccn2)c(cc1F)C(F)(F)F

InChI Key: InChIKey=YESWLTDKZKDSMC-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 = 376117   
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))
BDBM376117
PNG
(2-fluoro-N-(1-(4- fluorophenyl)-3-((5-oxo-4,5- dih...)
Show SMILES Fc1ccc(cc1)-n1nc(Cc2n[nH]c(=O)o2)cc1NC(=O)c1cc(-c2ncccn2)c(cc1F)C(F)(F)F
Show InChI InChI=1S/C24H14F5N7O3/c25-12-2-4-14(5-3-12)36-19(8-13(35-36)9-20-33-34-23(38)39-20)32-22(37)16-10-15(21-30-6-1-7-31-21)17(11-18(16)26)24(27,28)29/h1-8,10-11H,9H2,(H,32,37)(H,34,38)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...


J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair