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SMILES: CC(C)(C)OC(=O)N1CCc2nc(sc2C1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1

InChI Key: InChIKey=XCAGIHJCPNUGAK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 128475   
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))
BDBM128475
PNG
(US8796244, 54)
Show SMILES CC(C)(C)OC(=O)N1CCc2nc(sc2C1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C27H27F3N6O3S/c1-26(2,3)39-25(38)35-9-8-19-21(14-35)40-23(34-19)17-7-10-36-20(13-31-22(36)12-17)16-5-4-6-18(11-16)33-24(37)32-15-27(28,29)30/h4-7,10-13H,8-9,14-15H2,1-3H3,(H2,32,33,37)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 18.2n/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))
BDBM128475
PNG
(US8796244, 54)
Show SMILES CC(C)(C)OC(=O)N1CCc2nc(sc2C1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C27H27F3N6O3S/c1-26(2,3)39-25(38)35-9-8-19-21(14-35)40-23(34-19)17-7-10-36-20(13-31-22(36)12-17)16-5-4-6-18(11-16)33-24(37)32-15-27(28,29)30/h4-7,10-13H,8-9,14-15H2,1-3H3,(H2,32,33,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.25n/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