BDBM4584 (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(diethylamino)but-2-enamide::4-anilinoquinazoline deriv. 16b

SMILES: CCN(CC)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

InChI Key: InChIKey=PJDCIIPPRINIGB-RMKNXTFCSA-N

Data: 2 IC50

PDB links: 2 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 = 4584   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM4584 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...) Show SMILES CCN(CC)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C22H24BrN5O/c1-3-28(4-2)12-6-9-21(29)26-18-10-11-20-19(14-18)22(25-15-24-20)27-17-8-5-7-16(23)13-17/h5-11,13-15H,3-4,12H2,1-2H3,(H,26,29)(H,24,25,27)/b9-6+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM4584 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...) Show SMILES CCN(CC)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C22H24BrN5O/c1-3-28(4-2)12-6-9-21(29)26-18-10-11-20-19(14-18)22(25-15-24-20)27-17-8-5-7-16(23)13-17/h5-11,13-15H,3-4,12H2,1-2H3,(H,26,29)(H,24,25,27)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	7.4	22
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