BDBM50402021 CHEMBL2205458

SMILES: CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc-4c(Cc5ccccc-45)c3)n2)c(=O)c1=O

InChI Key: InChIKey=DZSCOPNYGJCJSL-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50402021   

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))	BDBM50402021 (CHEMBL2205458) Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc-4c(Cc5ccccc-45)c3)n2)c(=O)c1=O Show InChI InChI=1S/C25H23N5O2/c1-25(2,3)30-21-20(22(31)23(21)32)28-19-10-11-26-24(29-19)27-16-8-9-18-15(13-16)12-14-6-4-5-7-17(14)18/h4-11,13,30H,12H2,1-3H3,(H2,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...				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
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50402021 (CHEMBL2205458) Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc-4c(Cc5ccccc-45)c3)n2)c(=O)c1=O Show InChI InChI=1S/C25H23N5O2/c1-25(2,3)30-21-20(22(31)23(21)32)28-19-10-11-26-24(29-19)27-16-8-9-18-15(13-16)12-14-6-4-5-7-17(14)18/h4-11,13,30H,12H2,1-3H3,(H2,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	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