BDBM50281390 CHEMBL4159525

SMILES C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C

InChI Key InChIKey=RKVGVUCXMUXZTG-UHFFFAOYSA-N

Data  2 IC50  3 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50281390   

TargetVitamin D3 receptor(Human)
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50281390(CHEMBL4159525)
Affinity DataEC50:  0.0300nMAssay Description:Transactivation of VDR (unknown origin) expressed in HEK293 cells harboring TK-Spp X 3-LUC reporter plasmid after 24 hrs by luciferase reporter gene ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/28/2020
Entry Details Article
PubMed
TargetVitamin D3 receptor(Human)
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50281390(CHEMBL4159525)
Affinity DataIC50: 0.0900nMAssay Description:Transrepression of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-NCoR and MH100(UAS) X 4tk-LUC reporter plasmid asse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/28/2020
Entry Details Article
PubMed
TargetVitamin D3 receptor(Human)
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50281390(CHEMBL4159525)
Affinity DataEC50:  0.140nMAssay Description:Transactivation of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-RXRalpha and MH100(UAS) X 4tk-LUC reporter plasmid ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/28/2020
Entry Details Article
PubMed
TargetVitamin D3 receptor(Human)
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50281390(CHEMBL4159525)
Affinity DataIC50: 0.240nMAssay Description:Displacement of [26,27-Methyl-3H]-1,25(OH)2D3 from recombinant human GST-tagged VDR LBD (140 to 427 residues) expressed in Escherichia coli BL21 prei...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/28/2020
Entry Details Article
PubMed
TargetVitamin D3 receptor(Human)
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50281390(CHEMBL4159525)
Affinity DataEC50: >1.20nMAssay Description:Transactivation of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-SRC-1 and MH100(UAS) X 4tk-LUC reporter plasmid ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/28/2020
Entry Details Article
PubMed