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BDBM50441905 CHEMBL2437035

SMILES: CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCC(=O)OC

InChI Key: InChIKey=QOCBZTBLZFXNER-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50441905   
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))
BDBM50441905
PNG
(CHEMBL2437035)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCC(=O)OC
Show InChI InChI=1S/C28H40N2O5/c1-9-28(10-2,20-12-14-22(19(4)16-20)35-18-24(31)27(5,6)7)23-15-13-21(30(23)11-3)26(33)29-17-25(32)34-8/h12-16H,9-11,17-18H2,1-8H3,(H,29,33)
PDB
MMDB

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Similars

Article
PubMed
n/an/an/an/a 1.83E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at VDR in human HL60 cells assessed as induction of cell differentiation after 96 hrs by NBT reduction assay


Eur J Med Chem 69: 768-78 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.015
BindingDB Entry DOI: 10.7270/Q2ZC849T
More data for this
Ligand-Target Pair