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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50099967'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Receptor tyrosine-protein kinase erbB-2


(Rattus norvegicus)
BDBM50099967
PNG
((1-Benzyl-1H-indol-5-yl)-quinazolin-4-yl-amine | C...)
Show SMILES C(c1ccccc1)n1ccc2cc(Nc3ncnc4ccccc34)ccc12
Show InChI InChI=1S/C23H18N4/c1-2-6-17(7-3-1)15-27-13-12-18-14-19(10-11-22(18)27)26-23-20-8-4-5-9-21(20)24-16-25-23/h1-14,16H,15H2,(H,24,25,26)
PDB
MMDB

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PC sid
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PubMed
n/an/a 90n/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))
BDBM50099967
PNG
((1-Benzyl-1H-indol-5-yl)-quinazolin-4-yl-amine | C...)
Show SMILES C(c1ccccc1)n1ccc2cc(Nc3ncnc4ccccc34)ccc12
Show InChI InChI=1S/C23H18N4/c1-2-6-17(7-3-1)15-27-13-12-18-14-19(10-11-22(18)27)26-23-20-8-4-5-9-21(20)24-16-25-23/h1-14,16H,15H2,(H,24,25,26)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 1.30E+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