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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50389892'   
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 D3 receptor


(Homo sapiens (Human))
BDBM50389892
PNG
(CHEMBL2070858)
Show SMILES COc1ccc(\C=C\C2=[N+](C)c3ccc(OC)cc3C2(C)C)cc1 |c:8|
Show InChI InChI=1S/C21H24NO2/c1-21(2)18-14-17(24-5)11-12-19(18)22(3)20(21)13-8-15-6-9-16(23-4)10-7-15/h6-14H,1-5H3/q+1/b13-8+
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SRC2-3 after 3 hrs by fluorescence polarization assay


J Med Chem 55: 4640-51 (2012)


Article DOI: 10.1021/jm300460c
BindingDB Entry DOI: 10.7270/Q2HD7WRP
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50389892
PNG
(CHEMBL2070858)
Show SMILES COc1ccc(\C=C\C2=[N+](C)c3ccc(OC)cc3C2(C)C)cc1 |c:8|
Show InChI InChI=1S/C21H24NO2/c1-21(2)18-14-17(24-5)11-12-19(18)22(3)20(21)13-8-15-6-9-16(23-4)10-7-15/h6-14H,1-5H3/q+1/b13-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Inhibition of VDR-LBD expressed in human HEK293T cells co-expressing GAL4-DBD assessed as inhibition of 1,25-(OH)2D3-induced transcription after 24 h...


J Med Chem 55: 4640-51 (2012)


Article DOI: 10.1021/jm300460c
BindingDB Entry DOI: 10.7270/Q2HD7WRP
More data for this
Ligand-Target Pair