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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 4 group A member 1' and Ligand = 'BDBM42095'   
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
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))
BDBM42095
PNG
(2-keto-3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-y...)
Show SMILES COC(=O)C1=C(C)N(C)C(=O)NC1c1cc2OCOc2cc1[N+]([O-])=O |c:4|
Show InChI InChI=1S/C15H15N3O7/c1-7-12(14(19)23-3)13(16-15(20)17(7)2)8-4-10-11(25-6-24-10)5-9(8)18(21)22/h4-5,13H,6H2,1-3H3,(H,16,20)
PDB
MMDB

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n/an/an/an/a 1.74E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair