BDBM50253354 2,4-Dibenzylamino-6-isopentylpyrimidine::CHEMBL494121

SMILES: CC(C)CCc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1

InChI Key: InChIKey=HEIDJEFGBUXABK-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 = 50253354   

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))	BDBM50253354 (2,4-Dibenzylamino-6-isopentylpyrimidine | CHEMBL49...) Show SMILES CC(C)CCc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C23H28N4/c1-18(2)13-14-21-15-22(24-16-19-9-5-3-6-10-19)27-23(26-21)25-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3,(H2,24,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	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))	BDBM50253354 (2,4-Dibenzylamino-6-isopentylpyrimidine | CHEMBL49...) Show SMILES CC(C)CCc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C23H28N4/c1-18(2)13-14-21-15-22(24-16-19-9-5-3-6-10-19)27-23(26-21)25-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3,(H2,24,25,26,27)	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))	BDBM50253354 (2,4-Dibenzylamino-6-isopentylpyrimidine | CHEMBL49...) Show SMILES CC(C)CCc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C23H28N4/c1-18(2)13-14-21-15-22(24-16-19-9-5-3-6-10-19)27-23(26-21)25-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3,(H2,24,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	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