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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 = 'BDBM50524688'   
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))		BDBM50524688
PNG
(CHEMBL3980631)
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)NCCC |r,c:24,t:14,16,19|
Show InChI InChI=1S/C32H45NO3/c1-8-17-33-27(36)29(4)12-11-28(3)13-15-31(6)24-10-9-21-20(2)26(35)23(34)18-22(21)30(24,5)14-16-32(31,7)25(28)19-29/h9-10,18,25,35H,8,11-17,19H2,1-7H3,(H,33,36)/t25-,28-,29-,30+,31-,32+/m1/s1
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n/an/an/a 270n/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