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BDBM50397075 CHEMBL2171446

SMILES: CC\C(=C/C=C/C(O)(CC)CC)c1cccc(OCc2ccc(CO)c(CO)c2)c1

InChI Key: InChIKey=ZPQGIRYXMGFFNL-QXSLLBHJSA-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 = 50397075   
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
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50397075
PNG
(CHEMBL2171446)
Show SMILES CC\C(=C/C=C/C(O)(CC)CC)c1cccc(OCc2ccc(CO)c(CO)c2)c1
Show InChI InChI=1S/C26H34O4/c1-4-21(10-8-14-26(29,5-2)6-3)22-9-7-11-25(16-22)30-19-20-12-13-23(17-27)24(15-20)18-28/h7-16,27-29H,4-6,17-19H2,1-3H3/b14-8+,21-10+
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 49n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Transactivation of full length human VDR expressed in human HeLa cells assessed as increase in CYP24 transcription after 18 hrs by luciferase reporte...


J Med Chem 55: 8440-9 (2012)


Article DOI: 10.1021/jm300858s
BindingDB Entry DOI: 10.7270/Q2X63P3T
More data for this
Ligand-Target Pair