BDBM11314 1,8-dihydroxy-4-nitro-9H-xanthen-9-one::1,8-dihydroxy-4-nitro-xanthen-9-one::MNX

SMILES: Oc1cccc2oc3c(ccc(O)c3c(=O)c12)[N+]([O-])=O

InChI Key: InChIKey=ZOHCDJRFYXKEQW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 11314   

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 subunit alpha (Homo sapiens (Human))	BDBM11314 (1,8-dihydroxy-4-nitro-9H-xanthen-9-one | 1,8-dihyd...) Show SMILES Oc1cccc2oc3c(ccc(O)c3c(=O)c12)[N+]([O-])=O Show InChI InChI=1S/C13H7NO6/c15-7-2-1-3-9-10(7)12(17)11-8(16)5-4-6(14(18)19)13(11)20-9/h1-5,15-16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CK2alpha (unknown origin)				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111581
					More data for this Ligand-Target Pair
Casein Kinase II (Zea mays (Maize))	BDBM11314 (1,8-dihydroxy-4-nitro-9H-xanthen-9-one | 1,8-dihyd...) Show SMILES Oc1cccc2oc3c(ccc(O)c3c(=O)c12)[N+]([O-])=O Show InChI InChI=1S/C13H7NO6/c15-7-2-1-3-9-10(7)12(17)11-8(16)5-4-6(14(18)19)13(11)20-9/h1-5,15-16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	800	-8.23	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)