BDBM50432377 CHEMBL2348414

SMILES: OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2NCC1

InChI Key: InChIKey=TVQSEOBXKSIHNK-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 = 50432377   

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))	BDBM50432377 (CHEMBL2348414) Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2NCC1 |t:6| Show InChI InChI=1S/C24H21ClF3N5O3/c25-19-12-16(4-5-20(19)36-17-3-1-2-15(11-17)24(26,27)28)33-22-18-10-14(23(35)30-8-9-34)6-7-29-21(18)31-13-32-22/h1-5,10-13,34H,6-9H2,(H,30,35)(H2,29,31,32,33)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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 (676 to 1255) expressed in baculovirus expression system incubated for 5 mins p...				Bioorg Med Chem 21: 2250-61 (2013) Article DOI: 10.1016/j.bmc.2013.02.014 BindingDB Entry DOI: 10.7270/Q2TT4S9D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50432377 (CHEMBL2348414) Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2NCC1 |t:6| Show InChI InChI=1S/C24H21ClF3N5O3/c25-19-12-16(4-5-20(19)36-17-3-1-2-15(11-17)24(26,27)28)33-22-18-10-14(23(35)30-8-9-34)6-7-29-21(18)31-13-32-22/h1-5,10-13,34H,6-9H2,(H,30,35)(H2,29,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	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 (669 to 1210) expressed in baculovirus expression system incubated for 5 mins p...				Bioorg Med Chem 21: 2250-61 (2013) Article DOI: 10.1016/j.bmc.2013.02.014 BindingDB Entry DOI: 10.7270/Q2TT4S9D
					More data for this Ligand-Target Pair