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BDBM50524695 CHEMBL4446742

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

InChI Key: InChIKey=XKIFAVUZIZADEL-LLYXLEJJSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50524695   
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))		BDBM50524695
PNG
(CHEMBL4446742)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OCC(F)F)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |r,c:28,t:14,16,19|
Show InChI InChI=1S/C32H42F2O4/c1-19-20-8-9-23-30(4,21(20)16-22(35)26(19)38-18-25(33)34)13-15-32(6)24-17-29(3,27(36)37-7)11-10-28(24,2)12-14-31(23,32)5/h8-9,16,24-25H,10-15,17-18H2,1-7H3/t24-,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 3.30E+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
More data for this
Ligand-Target Pair