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BDBM50448129 CHEMBL3122144

SMILES: [#6]-[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@H]1-[#6]-[#6]-[#6]2=[#6]-3-[#6]-[#6]-[#6@H]4-[#6](=[#6])-[#6@@H](-[#8])-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6]

InChI Key: InChIKey=XIDYYUJBKKSTQB-HXJVOWSFSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448129   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50448129
PNG
(CHEMBL3122144)
Show SMILES C[C@H](CCC=C(C)C)[C@H]1CCC2=C3CC[C@H]4C(=C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19,22-23,25-26,29H,4,7,9-17H2,1-3,5-6H3/t19-,22-,23+,25+,26+,27-,28+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.10E+4n/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at human full-length PXR transfected in human HepG2 cells co-transfected with pSG5-RXR assessed as induction of transactivation by d...


Eur J Med Chem 73: 126-34 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.005
BindingDB Entry DOI: 10.7270/Q2H70H9X
More data for this
Ligand-Target Pair