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BDBM6212 Benzodioxole deriv. 21::N-(5-Fluoro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine::N-(5-fluoro-2H-1,3-benzodioxol-4-yl)-6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine

SMILES: COc1cc2c(Nc3c4OCOc4ccc3F)ncnc2cc1OCCCN1CCOCC1

InChI Key: InChIKey=IRRKXQSEZMFNPY-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 6212   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM6212
PNG
(Benzodioxole deriv. 21 | N-(5-Fluoro-1,3-benzodiox...)
Show SMILES COc1cc2c(Nc3c4OCOc4ccc3F)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C23H25FN4O5/c1-29-19-11-15-17(12-20(19)31-8-2-5-28-6-9-30-10-7-28)25-13-26-23(15)27-21-16(24)3-4-18-22(21)33-14-32-18/h3-4,11-13H,2,5-10,14H2,1H3,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.16E+3n/an/an/an/an/an/a



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit receptor tyrosine kinase activity. The compounds were incubated with enzym...


J Med Chem 47: 871-87 (2004)


Article DOI: 10.1021/jm030317k
BindingDB Entry DOI: 10.7270/Q2930RCG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6212
PNG
(Benzodioxole deriv. 21 | N-(5-Fluoro-1,3-benzodiox...)
Show SMILES COc1cc2c(Nc3c4OCOc4ccc3F)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C23H25FN4O5/c1-29-19-11-15-17(12-20(19)31-8-2-5-28-6-9-30-10-7-28)25-13-26-23(15)27-21-16(24)3-4-18-22(21)33-14-32-18/h3-4,11-13H,2,5-10,14H2,1H3,(H,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



AstraZeneca



Assay Description
This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...


J Med Chem 47: 871-87 (2004)


Article DOI: 10.1021/jm030317k
BindingDB Entry DOI: 10.7270/Q2930RCG
More data for this
Ligand-Target Pair