BDBM50402048 CHEMBL2205429

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

InChI Key: InChIKey=GVZWLEOXAKEWHB-CYBMUJFWSA-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 = 50402048   

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))	BDBM50402048 (CHEMBL2205429) Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(C)cc3)n2)c(=O)c1=O)C(C)(C)C |r| Show InChI InChI=1S/C21H25N5O2/c1-12-6-8-14(9-7-12)24-20-22-11-10-15(26-20)25-17-16(18(27)19(17)28)23-13(2)21(3,4)5/h6-11,13,23H,1-5H3,(H2,22,24,25,26)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	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