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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ribosyldihydronicotinamide dehydrogenase [quinone]' and Ligand = 'BDBM50317134'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50317134
PNG
(5-(2-(dimethylamino)ethylamino)-1-methyl-6H-imidaz...)
Show SMILES CN(C)CCNc1ccc2nc(C)n3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C19H20N4O/c1-12-21-15-9-8-14(20-10-11-22(2)3)17-18(15)23(12)16-7-5-4-6-13(16)19(17)24/h4-9,20H,10-11H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


J Med Chem 54: 6597-611 (2011)


Article DOI: 10.1021/jm200416e
BindingDB Entry DOI: 10.7270/Q21Z44TH
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50317134
PNG
(5-(2-(dimethylamino)ethylamino)-1-methyl-6H-imidaz...)
Show SMILES CN(C)CCNc1ccc2nc(C)n3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C19H20N4O/c1-12-21-15-9-8-14(20-10-11-22(2)3)17-18(15)23(12)16-7-5-4-6-13(16)19(17)24/h4-9,20H,10-11H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 323n/an/an/an/an/an/a



the University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


Bioorg Med Chem Lett 20: 2832-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.051
BindingDB Entry DOI: 10.7270/Q2FB533K
More data for this
Ligand-Target Pair