BindingDB logo
myBDB logout

BDBM128633 US8796244, 222

SMILES: CNC(=O)c1cc(C)nc(n1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1

InChI Key: InChIKey=AOGHURXPYZBRSS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 128633   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM128633
PNG
(US8796244, 222)
Show SMILES CNC(=O)c1cc(C)nc(n1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C23H20F3N7O2/c1-13-8-17(21(34)27-2)32-20(30-13)15-6-7-33-18(11-28-19(33)10-15)14-4-3-5-16(9-14)31-22(35)29-12-23(24,25)26/h3-11H,12H2,1-2H3,(H,27,34)(H2,29,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 560n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
VEGFR2 (from Upstate), prepared at 2x final concentration, was incubated with test compounds, biotinylated Flt3 substrate (biotin-VASSDNEYFYVDF) (Cel...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128633
PNG
(US8796244, 222)
Show SMILES CNC(=O)c1cc(C)nc(n1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C23H20F3N7O2/c1-13-8-17(21(34)27-2)32-20(30-13)15-6-7-33-18(11-28-19(33)10-15)14-4-3-5-16(9-14)31-22(35)29-12-23(24,25)26/h3-11H,12H2,1-2H3,(H,27,34)(H2,29,31,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 19n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair