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BDBM389608 N'-{6-chloro-2-[(E)-2-(4- isopropylphenyl)vinyl]quinazolin-4- yl}-N,N-dimethylethane-1,2-diamine::US9951029, 125

SMILES: CC(C)c1ccc(\C=C\c2nc(NCCN(C)C)c3cc(Cl)ccc3n2)cc1

InChI Key: InChIKey=PIEQGIWXGQJLGN-KPKJPENVSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 389608   
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))
BDBM389608
PNG
(N'-{6-chloro-2-[(E)-2-(4- isopropylphenyl)vinyl]qu...)
Show SMILES CC(C)c1ccc(\C=C\c2nc(NCCN(C)C)c3cc(Cl)ccc3n2)cc1
Show InChI InChI=1S/C23H27ClN4/c1-16(2)18-8-5-17(6-9-18)7-12-22-26-21-11-10-19(24)15-20(21)23(27-22)25-13-14-28(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,25,26,27)/b12-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 412n/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))
BDBM389608
PNG
(N'-{6-chloro-2-[(E)-2-(4- isopropylphenyl)vinyl]qu...)
Show SMILES CC(C)c1ccc(\C=C\c2nc(NCCN(C)C)c3cc(Cl)ccc3n2)cc1
Show InChI InChI=1S/C23H27ClN4/c1-16(2)18-8-5-17(6-9-18)7-12-22-26-21-11-10-19(24)15-20(21)23(27-22)25-13-14-28(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,25,26,27)/b12-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM389608
PNG
(N'-{6-chloro-2-[(E)-2-(4- isopropylphenyl)vinyl]qu...)
Show SMILES CC(C)c1ccc(\C=C\c2nc(NCCN(C)C)c3cc(Cl)ccc3n2)cc1
Show InChI InChI=1S/C23H27ClN4/c1-16(2)18-8-5-17(6-9-18)7-12-22-26-21-11-10-19(24)15-20(21)23(27-22)25-13-14-28(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,25,26,27)/b12-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/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))
BDBM389608
PNG
(N'-{6-chloro-2-[(E)-2-(4- isopropylphenyl)vinyl]qu...)
Show SMILES CC(C)c1ccc(\C=C\c2nc(NCCN(C)C)c3cc(Cl)ccc3n2)cc1
Show InChI InChI=1S/C23H27ClN4/c1-16(2)18-8-5-17(6-9-18)7-12-22-26-21-11-10-19(24)15-20(21)23(27-22)25-13-14-28(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,25,26,27)/b12-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.62E+3n/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