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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 = 'BDBM50292315'   
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


(Rattus norvegicus)
BDBM50292315
PNG
((5R,8aR,Z)-7-((E)-2-((3aS,7aR)-1-((R)-6-hydroxy-6-...)
Show SMILES C[C@H](CCCC(C)(C)O)C1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C2=CCCO[C@@H]2C1 |w:9.9,t:27|
Show InChI InChI=1S/C29H46O3/c1-20(8-5-15-28(2,3)31)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(30)23-10-7-17-32-27(23)19-21/h10-12,20,24-27,30-31H,5-9,13-19H2,1-4H3/b21-11-,22-12+/t20-,24?,25+,26-,27-,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Displacement of 1-alpha,25-dihydroxyvitamin from rat recombinant VDR


J Med Chem 50: 6154-64 (2007)


Article DOI: 10.1021/jm070635+
BindingDB Entry DOI: 10.7270/Q2DB82PM
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Rattus norvegicus)
BDBM50292315
PNG
((5R,8aR,Z)-7-((E)-2-((3aS,7aR)-1-((R)-6-hydroxy-6-...)
Show SMILES C[C@H](CCCC(C)(C)O)C1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C2=CCCO[C@@H]2C1 |w:9.9,t:27|
Show InChI InChI=1S/C29H46O3/c1-20(8-5-15-28(2,3)31)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(30)23-10-7-17-32-27(23)19-21/h10-12,20,24-27,30-31H,5-9,13-19H2,1-4H3/b21-11-,22-12+/t20-,24?,25+,26-,27-,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Activity at VDR in rat osteosarcoma cells assessed as 24-hydroxylase transcription by reporter gene assay


J Med Chem 50: 6154-64 (2007)


Article DOI: 10.1021/jm070635+
BindingDB Entry DOI: 10.7270/Q2DB82PM
More data for this
Ligand-Target Pair