BDBM50198705 (2E)-(20R)-1alpha,25-dihydroxy-2-[(2''-hydroxyethylidene)]-19-norvitamin D3::(2Z)-(20R)-1alpha,25-dihydroxy-2-[(2''''-hydroxyethylidene)]-19-norvitamin D3::CHEMBL226328::CHEMBL226435

SMILES: C[C@H](CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C(=CCF)[C@H](O)C1

InChI Key: InChIKey=NPQPAYRGQQTLEO-IVCQRGKOSA-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 = 50198705   

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 D3 receptor (Homo sapiens (Human))	BDBM50198705 ((2E)-(20R)-1alpha,25-dihydroxy-2-[(2''-hydroxyethy...) Show SMILES C[C@H](CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C(=CCF)[C@H](O)C1 |w:12.11,17.19,9.9,wU:23.25,wD:29.31,1.0,(-1.19,-25.99,;-.16,-27.13,;1.34,-26.82,;1.82,-25.35,;3.33,-25.04,;3.81,-23.58,;5.29,-24.01,;2.33,-23.15,;4.2,-22.08,;-.65,-28.59,;.25,-29.84,;-.66,-31.09,;-2.12,-30.61,;-3.46,-31.37,;-4.79,-30.6,;-4.78,-29.06,;-3.45,-28.29,;-2.12,-29.07,;-2.13,-27.52,;-3.46,-32.91,;-4.78,-33.68,;-4.78,-35.22,;-3.46,-36,;-3.46,-37.54,;-2.13,-38.31,;-4.78,-38.3,;-4.78,-39.84,;-3.46,-40.61,;-2.12,-39.84,;-6.11,-37.54,;-7.45,-38.31,;-6.11,-36,)| Show InChI InChI=1S/C28H45FO3/c1-19(7-5-14-27(2,3)32)23-11-12-24-21(8-6-15-28(23,24)4)10-9-20-17-25(30)22(13-16-29)26(31)18-20/h9-10,13,19,23-26,30-32H,5-8,11-12,14-18H2,1-4H3/b20-9-,21-10+,22-13-/t19-,23?,24?,25-,26-,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of human VDR induced-transcriptional transactivation of luciferase reporter gene in COS7 cells after 24 hrs				Bioorg Med Chem 15: 1475-82 (2007) Article DOI: 10.1016/j.bmc.2006.10.069 BindingDB Entry DOI: 10.7270/Q2TT4QK5
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50198705 ((2E)-(20R)-1alpha,25-dihydroxy-2-[(2''-hydroxyethy...) Show SMILES C[C@H](CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C(=CCF)[C@H](O)C1 |w:12.11,17.19,9.9,wU:23.25,wD:29.31,1.0,(-1.19,-25.99,;-.16,-27.13,;1.34,-26.82,;1.82,-25.35,;3.33,-25.04,;3.81,-23.58,;5.29,-24.01,;2.33,-23.15,;4.2,-22.08,;-.65,-28.59,;.25,-29.84,;-.66,-31.09,;-2.12,-30.61,;-3.46,-31.37,;-4.79,-30.6,;-4.78,-29.06,;-3.45,-28.29,;-2.12,-29.07,;-2.13,-27.52,;-3.46,-32.91,;-4.78,-33.68,;-4.78,-35.22,;-3.46,-36,;-3.46,-37.54,;-2.13,-38.31,;-4.78,-38.3,;-4.78,-39.84,;-3.46,-40.61,;-2.12,-39.84,;-6.11,-37.54,;-7.45,-38.31,;-6.11,-36,)| Show InChI InChI=1S/C28H45FO3/c1-19(7-5-14-27(2,3)32)23-11-12-24-21(8-6-15-28(23,24)4)10-9-20-17-25(30)22(13-16-29)26(31)18-20/h9-10,13,19,23-26,30-32H,5-8,11-12,14-18H2,1-4H3/b20-9-,21-10+,22-13-/t19-,23?,24?,25-,26-,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of human VDR induced-transcriptional transactivation of luciferase reporter gene in COS7 cells after 24 hrs				Bioorg Med Chem 15: 1475-82 (2007) Article DOI: 10.1016/j.bmc.2006.10.069 BindingDB Entry DOI: 10.7270/Q2TT4QK5
					More data for this Ligand-Target Pair