BDBM50402032 CHEMBL2205452

SMILES: O=c1c(NCC2CC2)c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c1=O

InChI Key: InChIKey=WAXRHCHSJASMPS-UHFFFAOYSA-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 = 50402032   

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))	BDBM50402032 (CHEMBL2205452) Show SMILES O=c1c(NCC2CC2)c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c1=O Show InChI InChI=1S/C24H21N5O2/c30-22-20(26-14-15-6-7-15)21(23(22)31)28-19-12-13-25-24(29-19)27-18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-5,8-13,15,26H,6-7,14H2,(H2,25,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	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