BDBM50244268 (20S)-1-alpha-2-alpha-25-Trihydroxy-2beta-methyl-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3::CHEMBL472153

SMILES: CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1

InChI Key: InChIKey=QTIVANCGWUMBSQ-NNASCUADSA-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 = 50244268   

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)	BDBM50244268 ((20S)-1-alpha-2-alpha-25-Trihydroxy-2beta-methyl-1...) Show SMILES CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1 |r,wU:13.12,18.20,24.26,wD:29.31,8.8,t:10,(-2.81,-9.71,;-3.92,-10.77,;-3.56,-12.27,;-2.08,-11.86,;-3.2,-13.77,;-1.72,-14.2,;-5.07,-12.59,;-6.1,-11.44,;-7.6,-11.76,;-8.63,-10.62,;-8.08,-13.23,;-7.18,-14.47,;-8.08,-15.71,;-9.54,-15.23,;-10.87,-16,;-12.22,-15.23,;-12.21,-13.69,;-10.87,-12.92,;-9.54,-13.7,;-9.55,-12.16,;-10.87,-17.54,;-12.22,-18.31,;-12.22,-19.85,;-10.88,-20.63,;-10.88,-22.17,;-9.54,-22.94,;-12.22,-22.93,;-11.12,-24.02,;-13.31,-24.02,;-13.53,-22.17,;-14.88,-22.94,;-13.53,-20.63,)| Show InChI InChI=1S/C27H44O4S/c1-6-27(31,7-2)17-32-18(3)21-12-13-22-20(9-8-14-25(21,22)4)11-10-19-15-23(28)26(5,30)24(29)16-19/h10-12,18,22-24,28-31H,6-9,13-17H2,1-5H3/b19-10-,20-11+/t18-,22-,23+,24+,25+,26?/m0/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	0.0170	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)	BDBM50244268 ((20S)-1-alpha-2-alpha-25-Trihydroxy-2beta-methyl-1...) Show SMILES CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1 |r,wU:13.12,18.20,24.26,wD:29.31,8.8,t:10,(-2.81,-9.71,;-3.92,-10.77,;-3.56,-12.27,;-2.08,-11.86,;-3.2,-13.77,;-1.72,-14.2,;-5.07,-12.59,;-6.1,-11.44,;-7.6,-11.76,;-8.63,-10.62,;-8.08,-13.23,;-7.18,-14.47,;-8.08,-15.71,;-9.54,-15.23,;-10.87,-16,;-12.22,-15.23,;-12.21,-13.69,;-10.87,-12.92,;-9.54,-13.7,;-9.55,-12.16,;-10.87,-17.54,;-12.22,-18.31,;-12.22,-19.85,;-10.88,-20.63,;-10.88,-22.17,;-9.54,-22.94,;-12.22,-22.93,;-11.12,-24.02,;-13.31,-24.02,;-13.53,-22.17,;-14.88,-22.94,;-13.53,-20.63,)| Show InChI InChI=1S/C27H44O4S/c1-6-27(31,7-2)17-32-18(3)21-12-13-22-20(9-8-14-25(21,22)4)11-10-19-15-23(28)26(5,30)24(29)16-19/h10-12,18,22-24,28-31H,6-9,13-17H2,1-5H3/b19-10-,20-11+/t18-,22-,23+,24+,25+,26?/m0/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	1.90	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