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BDBM93064 Vitamin D analog, 9

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

InChI Key: InChIKey=PPXATBHVDXKJAT-YWFKFXGONA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 93064   
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))
BDBM93064
PNG
(Vitamin D analog, 9)
Show SMILES CCCC[C@H](C)C1CCC2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1/C25H40O2/c1-5-6-8-17(2)21-12-13-22-20(9-7-14-25(21,22)4)11-10-19-15-23(26)18(3)24(27)16-19/h10-11,17,21-24,26-27H,3,5-9,12-16H2,1-2,4H3/b20-11+/t17-,21?,22?,23+,24+,25+/s2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
In vitro study, VDR binding assay were performed as previously described.


Bioorg Chem 47: 9-16 (2013)


Article DOI: 10.1016/j.bioorg.2013.01.001
BindingDB Entry DOI: 10.7270/Q2FX782T
More data for this
Ligand-Target Pair