BDBM50500298 CHEMBL3747092

SMILES: CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OCCC#C

InChI Key: InChIKey=XOCGQGUVWDJAPB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50500298   

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
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor (Homo sapiens (Human))	BDBM50500298 (CHEMBL3747092) Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OCCC#C Show InChI InChI=1S/C29H39NO4/c1-9-13-18-33-27(32)23-15-17-25(30(23)12-4)29(10-2,11-3)22-14-16-24(21(5)19-22)34-20-26(31)28(6,7)8/h1,14-17,19H,10-13,18,20H2,2-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...				Eur J Med Chem 107: 48-62 (2016) Article DOI: 10.1016/j.ejmech.2015.10.042 BindingDB Entry DOI: 10.7270/Q2QN69S0
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