BDBM50189122 CHEMBL377250::[4-(3-fluoro-benzyloxy)-3-trifluoromethyl-phenyl]-{6-[5-(1-oxo-1lambda*4*-thiomorpholin-4-ylmethyl)-furan-2-yl]-quinazolin-4-yl}-amine

SMILES: Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2C(F)(F)F)c1

InChI Key: InChIKey=JZWRJCKVZCYRLF-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 = 50189122   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50189122 (CHEMBL377250 | [4-(3-fluoro-benzyloxy)-3-trifluoro...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2C(F)(F)F)c1 Show InChI InChI=1S/C31H26F4N4O3S/c32-22-3-1-2-20(14-22)18-41-29-8-5-23(16-26(29)31(33,34)35)38-30-25-15-21(4-7-27(25)36-19-37-30)28-9-6-24(42-28)17-39-10-12-43(40)13-11-39/h1-9,14-16,19H,10-13,17-18H2,(H,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB1				Bioorg Med Chem Lett 16: 4686-91 (2006) Article DOI: 10.1016/j.bmcl.2006.05.090 BindingDB Entry DOI: 10.7270/Q2VM4D2Z
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50189122 (CHEMBL377250 | [4-(3-fluoro-benzyloxy)-3-trifluoro...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2C(F)(F)F)c1 Show InChI InChI=1S/C31H26F4N4O3S/c32-22-3-1-2-20(14-22)18-41-29-8-5-23(16-26(29)31(33,34)35)38-30-25-15-21(4-7-27(25)36-19-37-30)28-9-6-24(42-28)17-39-10-12-43(40)13-11-39/h1-9,14-16,19H,10-13,17-18H2,(H,36,37,38)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 4686-91 (2006) Article DOI: 10.1016/j.bmcl.2006.05.090 BindingDB Entry DOI: 10.7270/Q2VM4D2Z
					More data for this Ligand-Target Pair