BDBM50179496 CHEMBL3813728

SMILES: Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1

InChI Key: InChIKey=YDGSENSUZKXRDO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50179496   

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))	BDBM50179496 (CHEMBL3813728) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2/Receptor tyrosine-protein kinase erbB-3/Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50179496 (CHEMBL3813728) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay				Bioorg Med Chem 24: 3501-12 (2016) BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179496 (CHEMBL3813728) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	332	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay				Bioorg Med Chem 24: 3501-12 (2016) BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50179496 (CHEMBL3813728) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair