BDBM50435725 CHEMBL2392547

SMILES: COc1c(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)ccc(C(=O)NC2CCN(C)CC2)c1F

InChI Key: InChIKey=RXDSAQWDJRAMCT-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 = 50435725   

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))	BDBM50435725 (CHEMBL2392547) Show SMILES COc1c(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)ccc(C(=O)NC2CCN(C)CC2)c1F Show InChI InChI=1S/C27H34F3N7O3/c1-35-12-10-16(11-13-35)32-24(38)18-8-9-19(22(40-3)21(18)28)33-26-31-14-20-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(20)2/h8-9,14,16-17H,4-7,10-13,15H2,1-3H3,(H,32,38)(H,31,33,34)	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	26	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