BDBM50435730 CHEMBL2392558

SMILES: COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@](F)(CN(C3CCCC3)c2n1)C=C)C(=O)NC1CCN(C)CC1

InChI Key: InChIKey=RBXLZSWSJTUVKC-GDLZYMKVSA-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 = 50435730   

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))	BDBM50435730 (CHEMBL2392558) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@](F)(CN(C3CCCC3)c2n1)C=C)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38FN7O3/c1-5-29(30)18-37(21-8-6-7-9-21)25-23(36(3)27(29)39)17-31-28(34-25)33-22-11-10-19(16-24(22)40-4)26(38)32-20-12-14-35(2)15-13-20/h5,10-11,16-17,20-21H,1,6-9,12-15,18H2,2-4H3,(H,32,38)(H,31,33,34)/t29-/m1/s1	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	5	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