BDBM50391646 CHEMBL2148046

SMILES: CC(C)S(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12

InChI Key: InChIKey=FTBHGTXTGYLDBW-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 = 50391646   

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))	BDBM50391646 (CHEMBL2148046) Show SMILES CC(C)S(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C26H25ClF3N5O4S/c1-16(2)40(37,38)14-23(36)31-9-11-35-10-8-21-24(35)25(33-15-32-21)34-18-6-7-22(20(27)13-18)39-19-5-3-4-17(12-19)26(28,29)30/h3-8,10,12-13,15-16H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal DYKDDDD tagged HER2 cytoplasmic domain amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...				Bioorg Med Chem 20: 6171-80 (2012) Article DOI: 10.1016/j.bmc.2012.08.002 BindingDB Entry DOI: 10.7270/Q21R6RMZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50391646 (CHEMBL2148046) Show SMILES CC(C)S(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C26H25ClF3N5O4S/c1-16(2)40(37,38)14-23(36)31-9-11-35-10-8-21-24(35)25(33-15-32-21)34-18-6-7-22(20(27)13-18)39-19-5-3-4-17(12-19)26(28,29)30/h3-8,10,12-13,15-16H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal DYKDDDD tagged EGFR cytoplasmic domain amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation c...				Bioorg Med Chem 20: 6171-80 (2012) Article DOI: 10.1016/j.bmc.2012.08.002 BindingDB Entry DOI: 10.7270/Q21R6RMZ
					More data for this Ligand-Target Pair