BDBM50371375 CHEMBL258352

SMILES: CN1CCN(CC1)C(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

InChI Key: InChIKey=IQNBHURYIWAEOA-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50371375   

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))	BDBM50371375 (CHEMBL258352) Show SMILES CN1CCN(CC1)C(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C27H27ClN6O3/c1-33-11-13-34(14-12-33)25(35)17-37-24-7-4-6-22-26(24)27(31-18-30-22)32-19-8-9-23(21(28)15-19)36-16-20-5-2-3-10-29-20/h2-10,15,18H,11-14,16-17H2,1H3,(H,30,31,32)	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	350	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair