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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 = 'BDBM50353862'   
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)
BDBM50353862
PNG
(CHEMBL1830166)
Show SMILES CCC(C)(C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)\C(=C/CCO)[C@H](O)C1=C |r|
Show InChI InChI=1S/C27H42O3/c1-6-26(3,4)24-14-13-22-19(9-7-15-27(22,24)5)11-12-20-17-23(29)21(10-8-16-28)25(30)18(20)2/h10-12,22-25,28-30H,2,6-9,13-17H2,1,3-5H3/b19-11+,20-12-,21-10+/t22-,23+,24+,25+,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of radiolabelled 1alpha, 25-(OH)2D3 from recombinant rat VDR


J Med Chem 54: 6832-42 (2011)


Article DOI: 10.1021/jm200743p
BindingDB Entry DOI: 10.7270/Q2K35V1M
More data for this
Ligand-Target Pair