null

SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1

InChI Key InChIKey=HTUBKQUPEREOGA-UHFFFAOYSA-N

PDB links: 4 PDB IDs match this monomer. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 4567   

TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM4567(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)copy SMILEScopy InChI
Affinity DataIC50: 5.70nMAssay Description:Inhibition of heregulin-stimulated autophosphorylation of ERBB2 receptor kinase in MDA-MB-453 cells.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B56HZGPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM4567(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)copy SMILEScopy InChI
Affinity DataIC50: 5.70nMAssay Description:Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2H13179PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM4567(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)copy SMILEScopy InChI
Affinity DataIC50: 24nMAssay Description:Inhibition of HER2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M0457XPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM4567(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)copy SMILEScopy InChI
Affinity DataIC50: 114nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN93TSPubMed