BDBM50358452 CHEMBL1923007

SMILES: OCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12

InChI Key: InChIKey=FLFHZVYTVPANLR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50358452   

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))	BDBM50358452 (CHEMBL1923007) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C21H16ClF3N4O2/c22-16-11-14(28-20-19-17(26-12-27-20)6-7-29(19)8-9-30)4-5-18(16)31-15-3-1-2-13(10-15)21(23,24)25/h1-7,10-12,30H,8-9H2,(H,26,27,28)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...				J Med Chem 54: 8030-50 (2011) Article DOI: 10.1021/jm2008634 BindingDB Entry DOI: 10.7270/Q23R0T93
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50358452 (CHEMBL1923007) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C21H16ClF3N4O2/c22-16-11-14(28-20-19-17(26-12-27-20)6-7-29(19)8-9-30)4-5-18(16)31-15-3-1-2-13(10-15)21(23,24)25/h1-7,10-12,30H,8-9H2,(H,26,27,28)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50358452 (CHEMBL1923007) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C21H16ClF3N4O2/c22-16-11-14(28-20-19-17(26-12-27-20)6-7-29(19)8-9-30)4-5-18(16)31-15-3-1-2-13(10-15)21(23,24)25/h1-7,10-12,30H,8-9H2,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair