BDBM50329716 CHEMBL1269466::benzyl 3-(4-(3-(4-((S)-2,3-dihydroxypropoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)-4-hydroxypyrrolidine-1-carboxylate

SMILES: CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(C[C@@H]2O)C(=O)OCc2ccccc2)c(C)c1

InChI Key: InChIKey=QKFKTNTYGRUDMC-LYVYPOQBSA-N

Data: 1 IC50  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 2 hits for monomerid = 50329716   

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
Androgen Receptor (Mus musculus)	BDBM50329716 (CHEMBL1269466 | benzyl 3-(4-(3-(4-((S)-2,3-dihydro...) Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(C[C@@H]2O)C(=O)OCc2ccccc2)c(C)c1 |r| Show InChI InChI=1S/C34H43NO7/c1-5-34(6-2,26-12-14-30(23(3)16-26)40-22-28(37)20-36)27-13-15-31(24(4)17-27)42-32-19-35(18-29(32)38)33(39)41-21-25-10-8-7-9-11-25/h7-17,28-29,32,36-38H,5-6,18-22H2,1-4H3/t28-,29-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...				Bioorg Med Chem Lett 20: 6661-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.011 BindingDB Entry DOI: 10.7270/Q20K29J4
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50329716 (CHEMBL1269466 | benzyl 3-(4-(3-(4-((S)-2,3-dihydro...) Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(C[C@@H]2O)C(=O)OCc2ccccc2)c(C)c1 |r| Show InChI InChI=1S/C34H43NO7/c1-5-34(6-2,26-12-14-30(23(3)16-26)40-22-28(37)20-36)27-13-15-31(24(4)17-27)42-32-19-35(18-29(32)38)33(39)41-21-25-10-8-7-9-11-25/h7-17,28-29,32,36-38H,5-6,18-22H2,1-4H3/t28-,29-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Vitamin-D activity at VDR receptor in human HL60 cells assessed as induction of cell differentiation by NBT reduction assay				Bioorg Med Chem Lett 20: 6661-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.011 BindingDB Entry DOI: 10.7270/Q20K29J4
					More data for this Ligand-Target Pair