BindingDB logo
myBDB logout

BDBM50099969 (2-Benzyl-1H-benzoimidazol-5-yl)-(6,7-dimethoxy-quinazolin-4-yl)-amine::CHEMBL31407

SMILES: COc1cc2ncnc(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)c2cc1OC

InChI Key: InChIKey=HKZADGIXTKBZTF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50099969   
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 protein-tyrosine kinase erbB-2


(Rattus norvegicus)
BDBM50099969
PNG
((2-Benzyl-1H-benzoimidazol-5-yl)-(6,7-dimethoxy-qu...)
Show SMILES COc1cc2ncnc(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)c2cc1OC
Show InChI InChI=1S/C24H21N5O2/c1-30-21-12-17-19(13-22(21)31-2)25-14-26-24(17)27-16-8-9-18-20(11-16)29-23(28-18)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,28,29)(H,25,26,27)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 10n/an/an/an/an/an/a



Research Biomet. Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat Receptor protein-tyrosine kinase erbB2


Bioorg Med Chem Lett 11: 1401-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VKB
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50099969
PNG
((2-Benzyl-1H-benzoimidazol-5-yl)-(6,7-dimethoxy-qu...)
Show SMILES COc1cc2ncnc(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)c2cc1OC
Show InChI InChI=1S/C24H21N5O2/c1-30-21-12-17-19(13-22(21)31-2)25-14-26-24(17)27-16-8-9-18-20(11-16)29-23(28-18)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,28,29)(H,25,26,27)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Research Biomet. Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of c-erbB-2 overexpressing HB4a cell proliferation


Bioorg Med Chem Lett 11: 1401-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VKB
More data for this
Ligand-Target Pair