BDBM50179507 CHEMBL3814940

SMILES: Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1

InChI Key: InChIKey=XKKGXXXXAQKVRW-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50179507   

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))	BDBM50179507 (CHEMBL3814940) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C29H30ClFN6OS/c30-25-17-23(8-10-27(25)38-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(39)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,39)(H,33,34,35)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179507 (CHEMBL3814940) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C29H30ClFN6OS/c30-25-17-23(8-10-27(25)38-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(39)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,39)(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	296	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
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))	BDBM50179507 (CHEMBL3814940) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C29H30ClFN6OS/c30-25-17-23(8-10-27(25)38-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(39)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,39)(H,33,34,35)	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	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of EGFR Del19/T790M double mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS a...				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))	BDBM50179507 (CHEMBL3814940) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C29H30ClFN6OS/c30-25-17-23(8-10-27(25)38-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(39)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,39)(H,33,34,35)	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	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M double mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS a...				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))	BDBM50179507 (CHEMBL3814940) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C29H30ClFN6OS/c30-25-17-23(8-10-27(25)38-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(39)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,39)(H,33,34,35)	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	>500	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