BDBM50402050 CHEMBL2205433

SMILES: C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(OC(F)(F)F)cc3)n2)c(=O)c1=O)C(C)(C)C

InChI Key: InChIKey=DYNAFCVVACBSAO-LLVKDONJSA-N

Data: 1 KI

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 = 50402050   

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))	BDBM50402050 (CHEMBL2205433) Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(OC(F)(F)F)cc3)n2)c(=O)c1=O)C(C)(C)C |r| Show InChI InChI=1S/C21H22F3N5O3/c1-11(20(2,3)4)26-15-16(18(31)17(15)30)28-14-9-10-25-19(29-14)27-12-5-7-13(8-6-12)32-21(22,23)24/h5-11,26H,1-4H3,(H2,25,27,28,29)/t11-/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	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay				Bioorg Med Chem Lett 22: 7615-22 (2012) Article DOI: 10.1016/j.bmcl.2012.10.009 BindingDB Entry DOI: 10.7270/Q2XK8GQ3
					More data for this Ligand-Target Pair