BDBM50435722 CHEMBL2392550

SMILES: COc1cc(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)ccc1C(=O)NC1CCN(C)CC1

InChI Key: InChIKey=JMBATVPHKFZTAF-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 = 50435722   

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
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50435722 (CHEMBL2392550) Show SMILES COc1cc(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)ccc1C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C27H35F2N7O3/c1-34-12-10-17(11-13-34)31-24(37)20-9-8-18(14-22(20)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,17,19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay				Bioorg Med Chem Lett 23: 3662-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.083 BindingDB Entry DOI: 10.7270/Q2ST7R8C
					More data for this Ligand-Target Pair