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SMILES: [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=C[C@@H](CC(C)=O)c4c(C)c(O)c(O)cc4[C@]3(C)CC[C@@]21C)C(O)=O

InChI Key: InChIKey=PIORCMUPEMLSME-QMAXJQALSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50524692   
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))		BDBM50524692
PNG
(CHEMBL4470497)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=C[C@@H](CC(C)=O)c4c(C)c(O)c(O)cc4[C@]3(C)CC[C@@]21C)C(O)=O |r,t:14|
Show InChI InChI=1S/C32H44O5/c1-18(33)14-20-15-23-30(5,21-16-22(34)26(35)19(2)25(20)21)11-13-32(7)24-17-29(4,27(36)37)9-8-28(24,3)10-12-31(23,32)6/h15-16,20,24,34-35H,8-14,17H2,1-7H3,(H,36,37)/t20-,24-,28-,29-,30+,31-,32+/m1/s1
PDB
MMDB

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PC cid
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Article
PubMed
n/an/an/a 3.80E+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