BindingDB logo
myBDB logout

BDBM128585 US8796244, 172

SMILES: Cc1nc(ccc1F)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1

InChI Key: InChIKey=MCMNKYIBBPTWOO-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 = 128585   
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))
BDBM128585
PNG
(US8796244, 172)
Show SMILES Cc1nc(ccc1F)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C22H17F4N5O/c1-13-17(23)5-6-18(29-13)14-7-8-31-19(11-27-20(31)10-14)15-3-2-4-16(9-15)30-21(32)28-12-22(24,25)26/h2-11H,12H2,1H3,(H2,28,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 63n/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))
BDBM128585
PNG
(US8796244, 172)
Show SMILES Cc1nc(ccc1F)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C22H17F4N5O/c1-13-17(23)5-6-18(29-13)14-7-8-31-19(11-27-20(31)10-14)15-3-2-4-16(9-15)30-21(32)28-12-22(24,25)26/h2-11H,12H2,1H3,(H2,28,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.75n/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