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PubMed code 28610979

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))
BDBM50254165
PNG
(CHEMBL4080769)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O |r|
Show InChI InChI=1S/C26H40O2/c1-17(6-5-14-25(2,3)28)23-11-12-24-22-9-7-18-16-19(27)8-10-20(18)21(22)13-15-26(23,24)4/h8,10,16-17,21-24,27-28H,5-7,9,11-15H2,1-4H3/t17-,21-,22-,23-,24+,26-/m1/s1
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Article
PubMed
n/an/an/an/a 850n/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Yoshida, Sakyo-ku, Kyoto 606-8501, Japan.

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D receptor (unknown origin) expressed in HEK293 cells co-expressing pCMX-RXRalpha and pCMX-beta-galactosidase assessed as...


Bioorg Med Chem Lett 27: 3408-3411 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.089
BindingDB Entry DOI: 10.7270/Q2X350WK
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50254164
PNG
(CHEMBL4075325)
Show SMILES [H][C@@]12CC[C@@]3(C[C@H]3CCCC(C)(C)O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
Show InChI InChI=1S/C26H38O2/c1-24(2,28)12-4-5-18-16-26(18)14-11-23-22-8-6-17-15-19(27)7-9-20(17)21(22)10-13-25(23,26)3/h7,9,15,18,21-23,27-28H,4-6,8,10-14,16H2,1-3H3/t18-,21-,22-,23+,25+,26+/m1/s1
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Article
PubMed
n/an/an/an/a 3.70E+3n/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Yoshida, Sakyo-ku, Kyoto 606-8501, Japan.

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D receptor (unknown origin) expressed in HEK293 cells co-expressing pCMX-RXRalpha and pCMX-beta-galactosidase assessed as...


Bioorg Med Chem Lett 27: 3408-3411 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.089
BindingDB Entry DOI: 10.7270/Q2X350WK
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50254160
PNG
(CHEMBL4062601)
Show SMILES [H][C@]12C[C@@H](CCCC(C)(C)O)[C@@]1(O)[C@@]1(C)CC[C@]3([H])c4ccc(O)cc4CC[C@@]3([H])[C@]1([H])C2 |r|
Show InChI InChI=1S/C26H38O3/c1-24(2,28)11-4-5-17-14-18-15-23-22-8-6-16-13-19(27)7-9-20(16)21(22)10-12-25(23,3)26(17,18)29/h7,9,13,17-18,21-23,27-29H,4-6,8,10-12,14-15H2,1-3H3/t17-,18-,21-,22-,23+,25+,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.10E+3n/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Yoshida, Sakyo-ku, Kyoto 606-8501, Japan.

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D receptor (unknown origin) expressed in HEK293 cells co-expressing pCMX-RXRalpha and pCMX-beta-galactosidase assessed as...


Bioorg Med Chem Lett 27: 3408-3411 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.089
BindingDB Entry DOI: 10.7270/Q2X350WK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%