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PubMed code 16480267

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
BDBM50182484
PNG
((1R,3R)-5-{2-[1-((1R,5S)-5-adamantan-1-yl-5-hydrox...)
Show SMILES C[C@H](\C=C\C[C@H](O)C12CC3CC(CC(C3)C1)C2)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C[C@H](O)C1
Show InChI InChI=1S/C34H52O3/c1-22(5-3-7-32(37)34-19-24-13-25(20-34)15-26(14-24)21-34)30-10-11-31-27(6-4-12-33(30,31)2)9-8-23-16-28(35)18-29(36)17-23/h3,5,8-9,22,24-26,28-32,35-37H,4,6-7,10-21H2,1-2H3/b5-3+,27-9+/t22-,24?,25?,26?,28-,29-,30?,31?,32+,33?,34?/m1/s1
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonistic activity against human VDR in presence of 1,25(OH)2D3


J Med Chem 49: 1313-24 (2006)


Article DOI: 10.1021/jm050795q
BindingDB Entry DOI: 10.7270/Q23X867H
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50182485
PNG
((S)-5-((R)-2-(4-(2-((3R,5R)-3,5-dihydroxy-4-methyl...)
Show SMILES C[C@H](C[C@H]1CC(=C)C(=O)O1)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22?,23?,24-,25-,27?/m1/s1
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Inhibition of transactivation of human VDR in COS7 cells


J Med Chem 49: 1313-24 (2006)


Article DOI: 10.1021/jm050795q
BindingDB Entry DOI: 10.7270/Q23X867H
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50182484
PNG
((1R,3R)-5-{2-[1-((1R,5S)-5-adamantan-1-yl-5-hydrox...)
Show SMILES C[C@H](\C=C\C[C@H](O)C12CC3CC(CC(C3)C1)C2)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C[C@H](O)C1
Show InChI InChI=1S/C34H52O3/c1-22(5-3-7-32(37)34-19-24-13-25(20-34)15-26(14-24)21-34)30-10-11-31-27(6-4-12-33(30,31)2)9-8-23-16-28(35)18-29(36)17-23/h3,5,8-9,22,24-26,28-32,35-37H,4,6-7,10-21H2,1-2H3/b5-3+,27-9+/t22-,24?,25?,26?,28-,29-,30?,31?,32+,33?,34?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Inhibition of transactivation of human VDR in COS7 cells


J Med Chem 49: 1313-24 (2006)


Article DOI: 10.1021/jm050795q
BindingDB Entry DOI: 10.7270/Q23X867H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%