BDBM50448820 CHEMBL3128239

SMILES: COc1ccc(NC(=O)Nc2cccc(CNc3ncnc4n(CCc5ccccc5)ncc34)c2)cc1

InChI Key: InChIKey=RSOXRWXHLJMULT-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 = 50448820   

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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50448820 (CHEMBL3128239) Show SMILES COc1ccc(NC(=O)Nc2cccc(CNc3ncnc4n(CCc5ccccc5)ncc34)c2)cc1 Show InChI InChI=1S/C28H27N7O2/c1-37-24-12-10-22(11-13-24)33-28(36)34-23-9-5-8-21(16-23)17-29-26-25-18-32-35(27(25)31-19-30-26)15-14-20-6-3-2-4-7-20/h2-13,16,18-19H,14-15,17H2,1H3,(H,29,30,31)(H2,33,34,36)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay				J Med Chem 57: 1225-35 (2014) Article DOI: 10.1021/jm401358b BindingDB Entry DOI: 10.7270/Q2X34ZZP
					More data for this Ligand-Target Pair