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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 = 'BDBM50079525'   
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))
BDBM50079525
PNG
(CHEMBL3417314)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)NC |r,c:24,t:14,16,19|
Show InChI InChI=1S/C30H41NO3/c1-18-19-8-9-22-28(4,20(19)16-21(32)24(18)33)13-15-30(6)23-17-27(3,25(34)31-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,33H,10-15,17H2,1-7H3,(H,31,34)/t23-,26-,27-,28+,29-,30+/m1/s1
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Similars

Article
PubMed
n/an/an/a 800n/an/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His-tagged Nur77 LBD (367 to 598 residues) expressed in Escherichia coli BL21(DE3) incubated for 30 ...


Eur J Med Chem 177: 171-187 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.009
BindingDB Entry DOI: 10.7270/Q28D00P6
More data for this
Ligand-Target Pair