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BDBM389566 N'-{6-chloro-2-[(E)-2-(4- fluorophenyl)vinyl]quinazolin-4-yl}- N,N-dimethylpropane-1,3-diamine::US9951029, 20

SMILES: CN(C)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccc(Cl)cc12

InChI Key: InChIKey=TXEPPTZQOZBMOB-IZZDOVSWSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 389566   
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))
BDBM389566
PNG
(N'-{6-chloro-2-[(E)-2-(4- fluorophenyl)vinyl]quina...)
Show SMILES CN(C)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H22ClFN4/c1-27(2)13-3-12-24-21-18-14-16(22)7-10-19(18)25-20(26-21)11-6-15-4-8-17(23)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,24,25,26)/b11-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.39E+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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM389566
PNG
(N'-{6-chloro-2-[(E)-2-(4- fluorophenyl)vinyl]quina...)
Show SMILES CN(C)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H22ClFN4/c1-27(2)13-3-12-24-21-18-14-16(22)7-10-19(18)25-20(26-21)11-6-15-4-8-17(23)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,24,25,26)/b11-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 910n/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))
BDBM389566
PNG
(N'-{6-chloro-2-[(E)-2-(4- fluorophenyl)vinyl]quina...)
Show SMILES CN(C)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H22ClFN4/c1-27(2)13-3-12-24-21-18-14-16(22)7-10-19(18)25-20(26-21)11-6-15-4-8-17(23)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,24,25,26)/b11-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.49E+4n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


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


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))
BDBM389566
PNG
(N'-{6-chloro-2-[(E)-2-(4- fluorophenyl)vinyl]quina...)
Show SMILES CN(C)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H22ClFN4/c1-27(2)13-3-12-24-21-18-14-16(22)7-10-19(18)25-20(26-21)11-6-15-4-8-17(23)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,24,25,26)/b11-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP...


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
More data for this
Ligand-Target Pair