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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'NAD(P)H dehydrogenase [quinone] 1' and Ligand = 'BDBM50201785'   
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
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50201785
PNG
(CHEMBL3939072)
Show SMILES CC1(C)OC2=C(C1Nc1cccc(c1)-c1cn(C[Se]c3ccccc3)nn1)C(=O)C(=O)c1ccccc21 |c:4|
Show InChI InChI=1S/C29H24N4O3Se/c1-29(2)28(24-26(35)25(34)21-13-6-7-14-22(21)27(24)36-29)30-19-10-8-9-18(15-19)23-16-33(32-31-23)17-37-20-11-4-3-5-12-20/h3-16,28,30H,17H2,1-2H3
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Article
PubMed
n/an/a 640n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days by Hoechst 33258 staining base...


Eur J Med Chem 122: 1-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.019
BindingDB Entry DOI: 10.7270/Q2NV9M74
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50201785
PNG
(CHEMBL3939072)
Show SMILES CC1(C)OC2=C(C1Nc1cccc(c1)-c1cn(C[Se]c3ccccc3)nn1)C(=O)C(=O)c1ccccc21 |c:4|
Show InChI InChI=1S/C29H24N4O3Se/c1-29(2)28(24-26(35)25(34)21-13-6-7-14-22(21)27(24)36-29)30-19-10-8-9-18(15-19)23-16-33(32-31-23)17-37-20-11-4-3-5-12-20/h3-16,28,30H,17H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.20E+3n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days in presence of NQO1 inhibitor ...


Eur J Med Chem 122: 1-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.019
BindingDB Entry DOI: 10.7270/Q2NV9M74
More data for this
Ligand-Target Pair