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BDBM389610 N'-{6-fluoro-2-[(E)-2-(4- isopropylphenyl)vinyl]quinazolin-4- yl}-N,N-dimethylpropane-1,3- diamine::US9951029, 127

SMILES: CC(C)c1ccc(\C=C\c2nc(NCCCN(C)C)c3cc(F)ccc3n2)cc1

InChI Key: InChIKey=GXZNMVQHCWLYCL-MDWZMJQESA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 389610   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM389610
PNG
(N'-{6-fluoro-2-[(E)-2-(4- isopropylphenyl)vinyl]qu...)
Show SMILES CC(C)c1ccc(\C=C\c2nc(NCCCN(C)C)c3cc(F)ccc3n2)cc1
Show InChI InChI=1S/C24H29FN4/c1-17(2)19-9-6-18(7-10-19)8-13-23-27-22-12-11-20(25)16-21(22)24(28-23)26-14-5-15-29(3)4/h6-13,16-17H,5,14-15H2,1-4H3,(H,26,27,28)/b13-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IM...


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM389610
PNG
(N'-{6-fluoro-2-[(E)-2-(4- isopropylphenyl)vinyl]qu...)
Show SMILES CC(C)c1ccc(\C=C\c2nc(NCCCN(C)C)c3cc(F)ccc3n2)cc1
Show InChI InChI=1S/C24H29FN4/c1-17(2)19-9-6-18(7-10-19)8-13-23-27-22-12-11-20(25)16-21(22)24(28-23)26-14-5-15-29(3)4/h6-13,16-17H,5,14-15H2,1-4H3,(H,26,27,28)/b13-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.26E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
FLT3(ITD) biochemical assays were performed on two different assay system platforms, using TranscreenerŽ ADP Assay FP method (BellBrook Labs, Madison...


J Med Chem 52: 456-68 (2009)


BindingDB Entry DOI: 10.7270/Q2NG4T0S
More data for this
Ligand-Target Pair