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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin D receptor' and Ligand = 'BDBM50388439'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vitamin D receptor


(Rattus norvegicus)
BDBM50388439
PNG
(CHEMBL2059272)
Show SMILES [#6]-[#6@@H](-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)C([#6])([#6])[#6]-[#6]C([#6])([#6])[#8] |r|
Show InChI InChI=1S/C29H48O3/c1-19-25(30)17-21(18-26(19)31)10-11-22-9-8-14-29(7)23(12-13-24(22)29)20(2)27(3,4)15-16-28(5,6)32/h10-11,20,23-26,30-32H,1,8-9,12-18H2,2-7H3/b22-11+/t20-,23+,24-,25+,26+,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0200n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Displacement of [3H]-1alpha,25(OH)2D3 from recombinant rat VDR after overnight incubation by scintillation counting


J Med Chem 55: 4352-66 (2012)


Article DOI: 10.1021/jm300187x
BindingDB Entry DOI: 10.7270/Q2PK0H71
More data for this
Ligand-Target Pair