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SMILES: [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC

InChI Key: InChIKey=ZWZRMEHPDVKINW-ZRCCSVPJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50524686   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50524686
PNG
(CHEMBL4470378)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |r,c:25,t:14,16,19|
Show InChI InChI=1S/C31H42O4/c1-19-20-9-10-23-29(4,21(20)17-22(32)25(19)34-7)14-16-31(6)24-18-28(3,26(33)35-8)12-11-27(24,2)13-15-30(23,31)5/h9-10,17,24H,11-16,18H2,1-8H3/t24-,27-,28-,29+,30-,31+/m1/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.94E+3n/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