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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Receptor-type tyrosine-protein kinase FLT3' and Ligand = 'BDBM389605'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM389605
PNG
(2-{(E)-2-[4- (methylsulfonyl)phenyl]vinyl}-N- prop...)
Show SMILES CCCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccccc12
Show InChI InChI=1S/C20H21N3O2S/c1-3-14-21-20-17-6-4-5-7-18(17)22-19(23-20)13-10-15-8-11-16(12-9-15)26(2,24)25/h4-13H,3,14H2,1-2H3,(H,21,22,23)/b13-10+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.26E+3n/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
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM389605
PNG
(2-{(E)-2-[4- (methylsulfonyl)phenyl]vinyl}-N- prop...)
Show SMILES CCCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccccc12
Show InChI InChI=1S/C20H21N3O2S/c1-3-14-21-20-17-6-4-5-7-18(17)22-19(23-20)13-10-15-8-11-16(12-9-15)26(2,24)25/h4-13H,3,14H2,1-2H3,(H,21,22,23)/b13-10+
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.82E+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