BDBM50412386 CHEMBL2021486

SMILES: CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCC(O)(CC)CC

InChI Key: InChIKey=CHNJOXLNJDKDEF-IGEWIMMESA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50412386   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Vitamin D receptor (Mus musculus)	BDBM50412386 (CHEMBL2021486) Show SMILES CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCC(O)(CC)CC |r,wU:18.19,10.11,wD:5.5,4.3,c:24,@@:4,(-19.88,-.17,;-21.22,.6,;-22.55,-.17,;-23.88,.6,;-23.88,2.14,;-25.22,2.91,;-26.55,2.14,;-25.22,4.45,;-23.88,5.22,;-22.55,4.45,;-22.55,2.91,;-21.22,2.14,;-23.88,6.76,;-22.55,7.53,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-21.22,9.84,;-19.75,9.37,;-18.85,10.61,;-19.75,11.86,;-19.28,13.33,;-20.31,14.47,;-17.77,13.65,;-16.68,12.56,;-15.19,12.96,;-14.1,11.87,;-13.01,10.78,;-14.5,10.38,;-13.41,9.29,;-12.62,12.26,;-11.53,11.18,)| Show InChI InChI=1S/C30H50O4S/c1-6-17-34-28-26(31)19-22(20-27(28)32)11-12-23-10-9-15-29(5)24(13-14-25(23)29)21(4)35-18-16-30(33,7-2)8-3/h11-13,21,25-28,31-33H,6-10,14-20H2,1-5H3/b22-11-,23-12+/t21?,25?,26-,27-,28?,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/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
Vitamin D receptor (Mus musculus)	BDBM50412386 (CHEMBL2021486) Show SMILES CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCC(O)(CC)CC |r,wU:18.19,10.11,wD:5.5,4.3,c:24,@@:4,(-19.88,-.17,;-21.22,.6,;-22.55,-.17,;-23.88,.6,;-23.88,2.14,;-25.22,2.91,;-26.55,2.14,;-25.22,4.45,;-23.88,5.22,;-22.55,4.45,;-22.55,2.91,;-21.22,2.14,;-23.88,6.76,;-22.55,7.53,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-21.22,9.84,;-19.75,9.37,;-18.85,10.61,;-19.75,11.86,;-19.28,13.33,;-20.31,14.47,;-17.77,13.65,;-16.68,12.56,;-15.19,12.96,;-14.1,11.87,;-13.01,10.78,;-14.5,10.38,;-13.41,9.29,;-12.62,12.26,;-11.53,11.18,)| Show InChI InChI=1S/C30H50O4S/c1-6-17-34-28-26(31)19-22(20-27(28)32)11-12-23-10-9-15-29(5)24(13-14-25(23)29)21(4)35-18-16-30(33,7-2)8-3/h11-13,21,25-28,31-33H,6-10,14-20H2,1-5H3/b22-11-,23-12+/t21?,25?,26-,27-,28?,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0580	n/a	n/a	n/a	n/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