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BDBM3510 4-N-phenylquinazoline-4,6-diamine::CHEMBL89940::PD153035 Analog 9

SMILES: Nc1ccc2ncnc(Nc3ccccc3)c2c1

InChI Key: InChIKey=MJMYCJSNBBYTCT-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 3 PDB IDs contain this monomer as substructures. 5 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 3510   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3510
PNG
(4-N-phenylquinazoline-4,6-diamine | CHEMBL89940 | ...)
Show SMILES Nc1ccc2ncnc(Nc3ccccc3)c2c1
Show InChI InChI=1S/C14H12N4/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h1-9H,15H2,(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 776n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3510
PNG
(4-N-phenylquinazoline-4,6-diamine | CHEMBL89940 | ...)
Show SMILES Nc1ccc2ncnc(Nc3ccccc3)c2c1
Show InChI InChI=1S/C14H12N4/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h1-9H,15H2,(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 770n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair