BindingDB logo
myBDB logout

BDBM389615 N'-(6-chloro-2-{(E)-2-[4- (methylsulfonyl)phenyl]vinyl}quinazolin- 4-yl)-N,N-dimethylethane-1,2- diamine::US9951029, 132

SMILES: CN(C)CCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12

InChI Key: InChIKey=FDFNIDALAFPZPM-IZZDOVSWSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 389615   
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))
BDBM389615
PNG
(N'-(6-chloro-2-{(E)-2-[4- (methylsulfonyl)phenyl]v...)
Show SMILES CN(C)CCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H23ClN4O2S/c1-26(2)13-12-23-21-18-14-16(22)7-10-19(18)24-20(25-21)11-6-15-4-8-17(9-5-15)29(3,27)28/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)/b11-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 246n/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))
BDBM389615
PNG
(N'-(6-chloro-2-{(E)-2-[4- (methylsulfonyl)phenyl]v...)
Show SMILES CN(C)CCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H23ClN4O2S/c1-26(2)13-12-23-21-18-14-16(22)7-10-19(18)24-20(25-21)11-6-15-4-8-17(9-5-15)29(3,27)28/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)/b11-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/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))
BDBM389615
PNG
(N'-(6-chloro-2-{(E)-2-[4- (methylsulfonyl)phenyl]v...)
Show SMILES CN(C)CCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H23ClN4O2S/c1-26(2)13-12-23-21-18-14-16(22)7-10-19(18)24-20(25-21)11-6-15-4-8-17(9-5-15)29(3,27)28/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)/b11-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.66E+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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM389615
PNG
(N'-(6-chloro-2-{(E)-2-[4- (methylsulfonyl)phenyl]v...)
Show SMILES CN(C)CCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H23ClN4O2S/c1-26(2)13-12-23-21-18-14-16(22)7-10-19(18)24-20(25-21)11-6-15-4-8-17(9-5-15)29(3,27)28/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)/b11-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/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