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BDBM389585 N,N-dimethyl-N'-{2-[(E)-2-(2- thienyl)vinyl]benzo[g]quinazolin-4- yl}ethane-1,2-diamine::US9951029, 85

SMILES: CN(C)CCNc1nc(\C=C\c2cccs2)nc2cc3ccccc3cc12

InChI Key: InChIKey=GAEVEHHBAUZFLY-MDZDMXLPSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 389585   
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))
BDBM389585
PNG
(N,N-dimethyl-N'-{2-[(E)-2-(2- thienyl)vinyl]benzo[...)
Show SMILES CN(C)CCNc1nc(\C=C\c2cccs2)nc2cc3ccccc3cc12
Show InChI InChI=1S/C22H22N4S/c1-26(2)12-11-23-22-19-14-16-6-3-4-7-17(16)15-20(19)24-21(25-22)10-9-18-8-5-13-27-18/h3-10,13-15H,11-12H2,1-2H3,(H,23,24,25)/b10-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+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
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM389585
PNG
(N,N-dimethyl-N'-{2-[(E)-2-(2- thienyl)vinyl]benzo[...)
Show SMILES CN(C)CCNc1nc(\C=C\c2cccs2)nc2cc3ccccc3cc12
Show InChI InChI=1S/C22H22N4S/c1-26(2)12-11-23-22-19-14-16-6-3-4-7-17(16)15-20(19)24-21(25-22)10-9-18-8-5-13-27-18/h3-10,13-15H,11-12H2,1-2H3,(H,23,24,25)/b10-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 950n/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