BDBM50374663 CHEMBL404508

SMILES: O=C1CCCCc2cnn3c(NC4CC4)nc(Nc4cccc(N1)c4)nc23

InChI Key: InChIKey=HIJNSOUPEZHEMC-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50374663   

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
Casein Kinase II (Zea mays (Maize))	BDBM50374663 (CHEMBL404508) Show SMILES O=C1CCCCc2cnn3c(NC4CC4)nc(Nc4cccc(N1)c4)nc23 Show InChI InChI=1S/C19H21N7O/c27-16-7-2-1-4-12-11-20-26-17(12)24-18(25-19(26)23-13-8-9-13)22-15-6-3-5-14(10-15)21-16/h3,5-6,10-11,13H,1-2,4,7-9H2,(H,21,27)(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polaris Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of corn CK2				Bioorg Med Chem Lett 18: 619-23 (2008) Article DOI: 10.1016/j.bmcl.2007.11.074 BindingDB Entry DOI: 10.7270/Q2KD1ZRV
					More data for this Ligand-Target Pair				3D Structure (crystal)