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BDBM50309775 5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one::CHEMBL599688

SMILES: CC(C)CCNc1ccc2nnn3c2c1c(=O)c1ccccc31

InChI Key: InChIKey=ZYSCHAZRRGTUHD-UHFFFAOYSA-N

Data: 2 IC50

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 = 50309775   
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
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309775
PNG
(5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,1-de]acr...)
Show SMILES CC(C)CCNc1ccc2nnn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C18H18N4O/c1-11(2)9-10-19-13-7-8-14-17-16(13)18(23)12-5-3-4-6-15(12)22(17)21-20-14/h3-8,11,19H,9-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 92n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309775
PNG
(5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,1-de]acr...)
Show SMILES CC(C)CCNc1ccc2nnn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C18H18N4O/c1-11(2)9-10-19-13-7-8-14-17-16(13)18(23)12-5-3-4-6-15(12)22(17)21-20-14/h3-8,11,19H,9-10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 427n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair