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BDBM4579 4-anilinoquinazoline deriv. 10l::N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-methoxybut-2-ynamide

SMILES: COCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

InChI Key: InChIKey=VKFHLVGNIPONMR-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 4579   
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 tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4579
PNG
(4-anilinoquinazoline deriv. 10l | N-{4-[(3-bromoph...)
Show SMILES COCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H15BrN4O2/c1-26-9-3-6-18(25)23-15-7-8-17-16(11-15)19(22-12-21-17)24-14-5-2-4-13(20)10-14/h2,4-5,7-8,10-12H,9H2,1H3,(H,23,25)(H,21,22,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4579
PNG
(4-anilinoquinazoline deriv. 10l | N-{4-[(3-bromoph...)
Show SMILES COCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H15BrN4O2/c1-26-9-3-6-18(25)23-15-7-8-17-16(11-15)19(22-12-21-17)24-14-5-2-4-13(20)10-14/h2,4-5,7-8,10-12H,9H2,1H3,(H,23,25)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair