BDBM50358436 CHEMBL1922901

SMILES: Clc1cc(Nc2ncnc3cc[nH]c23)ccc1Oc1ccccc1C#N

InChI Key: InChIKey=RKUBYGFDHATQAZ-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 = 50358436   

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))	BDBM50358436 (CHEMBL1922901) Show SMILES Clc1cc(Nc2ncnc3cc[nH]c23)ccc1Oc1ccccc1C#N Show InChI InChI=1S/C19H12ClN5O/c20-14-9-13(25-19-18-15(7-8-22-18)23-11-24-19)5-6-17(14)26-16-4-2-1-3-12(16)10-21/h1-9,11,22H,(H,23,24,25)	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	8	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