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BDBM50320735 CHEMBL1164992::triciferol

SMILES: C[C@H](\C=C(/C)\C=C\C(=O)NO)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@@H](O)C1

InChI Key: InChIKey=QOEMKJVIXGOYHR-LEFFEYMYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50320735   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50320735
PNG
(CHEMBL1164992 | triciferol)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@@H](O)C1 |r|
Show InChI InChI=1S/C26H39NO4/c1-17(6-11-25(30)27-31)13-18(2)23-9-10-24-20(5-4-12-26(23,24)3)8-7-19-14-21(28)16-22(29)15-19/h6-8,11,13,18,21-24,28-29,31H,4-5,9-10,12,14-16H2,1-3H3,(H,27,30)/b11-6+,17-13+,19-7-,20-8+/t18-,21+,22-,23-,24+,26-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 after 10 mins by fluorometric assay


Bioorg Med Chem 18: 4119-37 (2010)


Article DOI: 10.1016/j.bmc.2010.03.078
BindingDB Entry DOI: 10.7270/Q2154J17
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50320735
PNG
(CHEMBL1164992 | triciferol)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@@H](O)C1 |r|
Show InChI InChI=1S/C26H39NO4/c1-17(6-11-25(30)27-31)13-18(2)23-9-10-24-20(5-4-12-26(23,24)3)8-7-19-14-21(28)16-22(29)15-19/h6-8,11,13,18,21-24,28-29,31H,4-5,9-10,12,14-16H2,1-3H3,(H,27,30)/b11-6+,17-13+,19-7-,20-8+/t18-,21+,22-,23-,24+,26-/m1/s1
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PC sid
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n/an/a 87n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Binding affinity to VDR ligand binding domain by fluorescence polarization competition assay


Bioorg Med Chem 18: 4119-37 (2010)


Article DOI: 10.1016/j.bmc.2010.03.078
BindingDB Entry DOI: 10.7270/Q2154J17
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50320735
PNG
(CHEMBL1164992 | triciferol)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@@H](O)C1 |r|
Show InChI InChI=1S/C26H39NO4/c1-17(6-11-25(30)27-31)13-18(2)23-9-10-24-20(5-4-12-26(23,24)3)8-7-19-14-21(28)16-22(29)15-19/h6-8,11,13,18,21-24,28-29,31H,4-5,9-10,12,14-16H2,1-3H3,(H,27,30)/b11-6+,17-13+,19-7-,20-8+/t18-,21+,22-,23-,24+,26-/m1/s1
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UniProtKB/TrEMBL

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PC sid
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n/an/a 580n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 after 10 mins by fluorometric assay


Bioorg Med Chem 18: 4119-37 (2010)


Article DOI: 10.1016/j.bmc.2010.03.078
BindingDB Entry DOI: 10.7270/Q2154J17
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50320735
PNG
(CHEMBL1164992 | triciferol)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@@H](O)C1 |r|
Show InChI InChI=1S/C26H39NO4/c1-17(6-11-25(30)27-31)13-18(2)23-9-10-24-20(5-4-12-26(23,24)3)8-7-19-14-21(28)16-22(29)15-19/h6-8,11,13,18,21-24,28-29,31H,4-5,9-10,12,14-16H2,1-3H3,(H,27,30)/b11-6+,17-13+,19-7-,20-8+/t18-,21+,22-,23-,24+,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.33E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 after 10 mins by fluorometric assay


Bioorg Med Chem 18: 4119-37 (2010)


Article DOI: 10.1016/j.bmc.2010.03.078
BindingDB Entry DOI: 10.7270/Q2154J17
More data for this
Ligand-Target Pair