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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: 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 = 11314   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Casein Kinase II


(Zea mays (Maize))
BDBM11314
PNG
(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
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MMDB

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PC cid
PC sid
PDB
UniChem
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PDB
Article
PubMed
800 -8.23n/an/an/an/an/a7.522



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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)