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BDBM50005618 CHEMBL2021484

SMILES: CCC(O)(CC)CSC(C)C1=CCC2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1

InChI Key: InChIKey=DUIYWCMQVXJTIP-JEPSLFKESA-N

Data: 1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005618   
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
Vitamin D receptor


(Mus musculus)		BDBM50005618
PNG
(CHEMBL2021484)
Show SMILES CCC(O)(CC)CSC(C)C1=CCC2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1 |r,wU:18.20,31.33,wD:24.26,26.28,t:10,@:26,(-13.31,14.84,;-14.79,14.44,;-15.19,12.96,;-13.71,13.35,;-14.1,11.87,;-12.62,12.26,;-16.68,12.56,;-17.77,13.65,;-19.28,13.33,;-20.31,14.47,;-19.75,11.86,;-18.85,10.61,;-19.75,9.37,;-21.22,9.84,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-22.55,7.53,;-23.88,6.76,;-23.88,5.22,;-25.22,4.45,;-25.22,2.91,;-26.55,2.14,;-23.88,2.14,;-23.88,.6,;-22.55,-.17,;-21.22,.6,;-19.88,-.17,;-22.55,2.91,;-21.22,2.14,;-22.55,4.45,)|
Show InChI InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19?,23?,24-,25-,26-,27-/m1/s1
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Similars
Article
PubMed
n/an/an/an/a 0.00210n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay

Bioorg Med Chem 16: 6949-64 (2008)


Article DOI: 10.1016/j.bmc.2008.05.043
BindingDB Entry DOI: 10.7270/Q2Z60NWW
More data for this
Ligand-Target Pair