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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 = 'BDBM50205234'   
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))
BDBM50205234
PNG
((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...)
Show SMILES C[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C28H46O3/c1-18(13-15-27(4,5)31)19(2)24-11-12-25-21(8-7-14-28(24,25)6)9-10-22-16-23(29)17-26(30)20(22)3/h9-10,18-19,23-26,29-31H,3,7-8,11-17H2,1-2,4-6H3/b21-9+,22-10-/t18-,19+,23-,24-,25?,26+,28-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.00300n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Induction of transactivation of human VDR responsive gene in COS7 cells by rat osteopontin luciferase reporter gene assay


J Med Chem 50: 932-9 (2007)


Article DOI: 10.1021/jm060889f
BindingDB Entry DOI: 10.7270/Q2Z320FX
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Bos taurus)
BDBM50205234
PNG
((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...)
Show SMILES C[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C28H46O3/c1-18(13-15-27(4,5)31)19(2)24-11-12-25-21(8-7-14-28(24,25)6)9-10-22-16-23(29)17-26(30)20(22)3/h9-10,18-19,23-26,29-31H,3,7-8,11-17H2,1-2,4-6H3/b21-9+,22-10-/t18-,19+,23-,24-,25?,26+,28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0310n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Displacement of [3H]1,25-(OH)2D3 from vitamin D receptor in bovine thymus


J Med Chem 50: 932-9 (2007)


Article DOI: 10.1021/jm060889f
BindingDB Entry DOI: 10.7270/Q2Z320FX
More data for this
Ligand-Target Pair