BDBM11313 1,8-dihydroxy-4-nitro-anthraquinone::4,5-dihydroxy-1-nitro-9,10-dihydroanthracene-9,10-dione::MNA

SMILES: Oc1cccc2C(=O)c3c(ccc(O)c3C(=O)c12)[N+]([O-])=O

InChI Key: InChIKey=RIYCICFDXLNQPV-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 = 11313   

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))	BDBM11313 (1,8-dihydroxy-4-nitro-anthraquinone | 4,5-dihydrox...) Show SMILES Oc1cccc2C(=O)c3c(ccc(O)c3C(=O)c12)[N+]([O-])=O Show InChI InChI=1S/C14H7NO6/c16-8-3-1-2-6-10(8)14(19)12-9(17)5-4-7(15(20)21)11(12)13(6)18/h1-5,16-17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	780	-8.24	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Padova					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...				J Biol Chem 278: 1831-6 (2003) Article DOI: 10.1074/jbc.M209367200 BindingDB Entry DOI: 10.7270/Q2GH9G5K
					More data for this Ligand-Target Pair				3D Structure (crystal)