BDBM50253430 2,4-Bis-benzyloxy-6-(3-methyl-butyl)-pyrimidine::CHEMBL494321

SMILES: CC(C)CCc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1

InChI Key: InChIKey=NVBJUBKJIZEHKY-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50253430   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50253430 (2,4-Bis-benzyloxy-6-(3-methyl-butyl)-pyrimidine | ...) Show SMILES CC(C)CCc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1 Show InChI InChI=1S/C23H26N2O2/c1-18(2)13-14-21-15-22(26-16-19-9-5-3-6-10-19)25-23(24-21)27-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin) assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 ...				J Med Chem 51: 6512-30 (2008) Article DOI: 10.1021/jm800698b BindingDB Entry DOI: 10.7270/Q2KD1XRF
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50253430 (2,4-Bis-benzyloxy-6-(3-methyl-butyl)-pyrimidine | ...) Show SMILES CC(C)CCc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1 Show InChI InChI=1S/C23H26N2O2/c1-18(2)13-14-21-15-22(26-16-19-9-5-3-6-10-19)25-23(24-21)27-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity to ERbeta (unknown origin) assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 b...				J Med Chem 51: 6512-30 (2008) Article DOI: 10.1021/jm800698b BindingDB Entry DOI: 10.7270/Q2KD1XRF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50253430 (2,4-Bis-benzyloxy-6-(3-methyl-butyl)-pyrimidine | ...) Show SMILES CC(C)CCc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1 Show InChI InChI=1S/C23H26N2O2/c1-18(2)13-14-21-15-22(26-16-19-9-5-3-6-10-19)25-23(24-21)27-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human HEC1 cells assessed as inhibition of estrogen-induced transcriptional activity after 24 hrs by reporter gene ...				J Med Chem 51: 6512-30 (2008) Article DOI: 10.1021/jm800698b BindingDB Entry DOI: 10.7270/Q2KD1XRF
					More data for this Ligand-Target Pair