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PubMed code 28399453

Compile data set for download or QSAR
Found 4 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 A


(Danio rerio)		BDBM50241977
PNG
(CHEMBL4066758)
Show SMILES [H][C@@]1(CC[C@H](O1)C(C)(C)O)[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@H](O)C1=C |r|
Show InChI InChI=1S/C28H44O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,18,21-26,29-31H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24+,25+,26-,28+/m0/s1
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n/an/an/an/a>100n/an/an/an/a



IGBMC (Institute of Genetics and of Molecular and Cellular Biology)

Curated by ChEMBL


Assay Description
Agonist activity at zebrafish VDR LBD (156 to 453 residues) expressed in HEK293 EBNA cells harboring human CYP24-Tk-Luc plasmid assessed as induction...

Eur J Med Chem 134: 86-96 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.081
BindingDB Entry DOI: 10.7270/Q2N018QM
More data for this
Ligand-Target Pair
Vitamin D3 receptor A


(Danio rerio)		BDBM50241976
PNG
(CHEMBL4088053)
Show SMILES [H][C@]1(CC[C@@H](O1)C(C)(C)O)[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@H](O)C1=C |r|
Show InChI InChI=1S/C28H44O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,18,21-26,29-31H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24+,25-,26+,28+/m0/s1
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n/an/an/an/a>100n/an/an/an/a



IGBMC (Institute of Genetics and of Molecular and Cellular Biology)

Curated by ChEMBL


Assay Description
Agonist activity at zebrafish VDR LBD (156 to 453 residues) expressed in HEK293 EBNA cells harboring human CYP24-Tk-Luc plasmid assessed as induction...

Eur J Med Chem 134: 86-96 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.081
BindingDB Entry DOI: 10.7270/Q2N018QM
More data for this
Ligand-Target Pair
Vitamin D3 receptor A


(Danio rerio)		BDBM50241974
PNG
(CHEMBL4099875)
Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@H](O)C1=C)[C@H](C)CCCC(C)(C)O |r|
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25-,27-/m1/s1
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n/an/an/an/a 0.140n/an/an/an/a



IGBMC (Institute of Genetics and of Molecular and Cellular Biology)

Curated by ChEMBL


Assay Description
Agonist activity at zebrafish VDR LBD (156 to 453 residues) expressed in HEK293 EBNA cells harboring human CYP24-Tk-Luc plasmid assessed as induction...

Eur J Med Chem 134: 86-96 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.081
BindingDB Entry DOI: 10.7270/Q2N018QM
More data for this
Ligand-Target Pair
Vitamin D3 receptor A


(Danio rerio)		BDBM50241975
PNG
(CHEMBL4060864)
Show SMILES [H][C@]1(CC[C@H](O1)C(C)(C)O)[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@H](O)C1=C |r|
Show InChI InChI=1S/C28H44O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,18,21-26,29-31H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24+,25-,26-,28+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>100n/an/an/an/a



IGBMC (Institute of Genetics and of Molecular and Cellular Biology)

Curated by ChEMBL


Assay Description
Agonist activity at zebrafish VDR LBD (156 to 453 residues) expressed in HEK293 EBNA cells harboring human CYP24-Tk-Luc plasmid assessed as induction...

Eur J Med Chem 134: 86-96 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.081
BindingDB Entry DOI: 10.7270/Q2N018QM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%