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BDBM11315 1,4-diamino-5,8-dihydroxy-9,10-dihydroanthracene-9,10-dione::1,4-diamino-5,8-dihydroxy-anthraquinone::DAA

SMILES: Nc1ccc(N)c2C(=O)c3c(O)ccc(O)c3C(=O)c12

InChI Key: InChIKey=QVEMRPAUHFWHRV-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 = 11315   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Casein Kinase II


(Zea mays (Maize))
BDBM11315
PNG
(1,4-diamino-5,8-dihydroxy-9,10-dihydroanthracene-9...)
Show SMILES Nc1ccc(N)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C14H10N2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H,15-16H2
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Article
PubMed
350 -8.71n/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)